N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C21H27N5O2 — CID 143229247

IUPACN-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)CC1
InChIInChI=1S/C21H27N5O2/c1-25-11-13-26(14-12-25)10-9-16-5-7-17(8-6-16)20(27)23-18-3-2-4-19(15-18)24-21(22)28/h2-8,15H,9-14H2,1H3,(H,23,27)(H3,22,24,28)
InChIKeyAXBLRGIVPVBIMN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 143229247) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID143229247
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)CC1
InChIInChI=1S/C21H27N5O2/c1-25-11-13-26(14-12-25)10-9-16-5-7-17(8-6-16)20(27)23-18-3-2-4-19(15-18)24-21(22)28/h2-8,15H,9-14H2,1H3,(H,23,27)(H3,22,24,28)
InChIKeyAXBLRGIVPVBIMN-UHFFFAOYSA-N
XLogP2.22
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 174749205
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762
2-chloro-6-(dimethylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 86944435
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 87562064
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 143229247) is N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CN1CCN(CCc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)CC1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is AXBLRGIVPVBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25-11-13-26(14-12-25)10-9-16-5-7-17(8-6-16)20(27)23-18-3-2-4-19(15-18)24-21(22)28/h2-8,15H,9-14H2,1H3,(H,23,27)(H3,22,24,28).
What are the key properties of N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 143229247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).