2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide

C24H20Cl3N3O2 — CID 148620198

IUPAC2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCC3)cc2Cl)ccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C24H20Cl3N3O2/c25-16-5-3-4-15(12-16)23(31)29-22-13-17(6-9-20(22)26)28-24(32)19-8-7-18(14-21(19)27)30-10-1-2-11-30/h3-9,12-14H,1-2,10-11H2,(H,28,32)(H,29,31)
InChIKeyNGCRTESVVXZMHX-UHFFFAOYSA-N
MW488.80 g/mol
LogP6.75
Rot. Bonds5

About 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide

2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 148620198) has the molecular formula C24H20Cl3N3O2 and a molecular weight of 488.80 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID148620198
Molecular FormulaC24H20Cl3N3O2
Molecular Weight488.80 g/mol
Exact Mass487.06
IUPAC Name2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCC3)cc2Cl)ccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C24H20Cl3N3O2/c25-16-5-3-4-15(12-16)23(31)29-22-13-17(6-9-20(22)26)28-24(32)19-8-7-18(14-21(19)27)30-10-1-2-11-30/h3-9,12-14H,1-2,10-11H2,(H,28,32)(H,29,31)
InChIKeyNGCRTESVVXZMHX-UHFFFAOYSA-N
XLogP6.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130519
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130329
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 144621222
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-phenylpyridine-3-carboxamide
CID 66693391
N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[2-chloro-5-[[4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 159030255
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-chlorobenzamide
CID 39184820
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide (CID 148620198) is 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide is O=C(Nc1cc(NC(=O)c2ccc(N3CCCC3)cc2Cl)ccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is NGCRTESVVXZMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O2/c25-16-5-3-4-15(12-16)23(31)29-22-13-17(6-9-20(22)26)28-24(32)19-8-7-18(14-21(19)27)30-10-1-2-11-30/h3-9,12-14H,1-2,10-11H2,(H,28,32)(H,29,31).
What are the key properties of 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide?
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 488.80 g/mol, XLogP of 6.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 148620198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).