4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

C32H37ClN4O2 — CID 67371224

IUPAC4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CCCCC5)ccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C32H37ClN4O2/c1-36-17-19-37(20-18-36)22-23-7-13-27(14-8-23)34-32(39)26-11-9-24(10-12-26)29-21-28(15-16-30(29)33)35-31(38)25-5-3-2-4-6-25/h7-16,21,25H,2-6,17-20,22H2,1H3,(H,34,39)(H,35,38)
InChIKeyUUQWMMMGJMWHNP-UHFFFAOYSA-N
MW545.13 g/mol
LogP6.53
Rot. Bonds7

About 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 67371224) has the molecular formula C32H37ClN4O2 and a molecular weight of 545.13 g/mol. Its IUPAC name is 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID67371224
Molecular FormulaC32H37ClN4O2
Molecular Weight545.13 g/mol
Exact Mass544.26
IUPAC Name4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CCCCC5)ccc4Cl)cc3)cc2)CC1
InChIInChI=1S/C32H37ClN4O2/c1-36-17-19-37(20-18-36)22-23-7-13-27(14-8-23)34-32(39)26-11-9-24(10-12-26)29-21-28(15-16-30(29)33)35-31(38)25-5-3-2-4-6-25/h7-16,21,25H,2-6,17-20,22H2,1H3,(H,34,39)(H,35,38)
InChIKeyUUQWMMMGJMWHNP-UHFFFAOYSA-N
XLogP6.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.13
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide with MolForge

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Related Compounds

4-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
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4-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]-N-[4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 67371599
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
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4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
[4-(piperidin-1-ylmethyl)phenyl] 4-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoate
CID 91180812
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-[5-(cyclopropanecarbonylamino)-2-[3-(dimethylamino)propoxy]phenyl]-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 71588921
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (CID 67371224) is 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is CN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CCCCC5)ccc4Cl)cc3)cc2)CC1.
What is the InChIKey of 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is UUQWMMMGJMWHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN4O2/c1-36-17-19-37(20-18-36)22-23-7-13-27(14-8-23)34-32(39)26-11-9-24(10-12-26)29-21-28(15-16-30(29)33)35-31(38)25-5-3-2-4-6-25/h7-16,21,25H,2-6,17-20,22H2,1H3,(H,34,39)(H,35,38).
What are the key properties of 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 545.13 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 67371224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).