3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide

C22H26Cl2N4O3 — CID 146097559

IUPAC3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide
SMILESCC(CN1CCN(C)CC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C22H26Cl2N4O3/c1-14(13-28-9-7-27(2)8-10-28)25-22(31)17-5-4-16(12-20(17)29)26-21(30)15-3-6-18(23)19(24)11-15/h3-6,11-12,14,29H,7-10,13H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyFEGIKECAXUHVRI-UHFFFAOYSA-N
MW465.38 g/mol
LogP3.32
Rot. Bonds6

About 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide

3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide (PubChem CID 146097559) has the molecular formula C22H26Cl2N4O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide
PubChem CID146097559
Molecular FormulaC22H26Cl2N4O3
Molecular Weight465.38 g/mol
Exact Mass464.14
IUPAC Name3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide
SMILESCC(CN1CCN(C)CC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C22H26Cl2N4O3/c1-14(13-28-9-7-27(2)8-10-28)25-22(31)17-5-4-16(12-20(17)29)26-21(30)15-3-6-18(23)19(24)11-15/h3-6,11-12,14,29H,7-10,13H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyFEGIKECAXUHVRI-UHFFFAOYSA-N
XLogP3.32
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95313168
diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate
CID 155964718
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
3,4-dichloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5204790
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498736

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide (CID 146097559) is 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide is CC(CN1CCN(C)CC1)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide?
The InChIKey is FEGIKECAXUHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3/c1-14(13-28-9-7-27(2)8-10-28)25-22(31)17-5-4-16(12-20(17)29)26-21(30)15-3-6-18(23)19(24)11-15/h3-6,11-12,14,29H,7-10,13H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide?
3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide has a molecular weight of 465.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 146097559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).