1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide

C19H17Cl2N3O4 — CID 17223292

IUPAC1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17Cl2N3O4/c20-15-4-2-1-3-14(15)19(26)23-9-7-12(8-10-23)18(25)22-17-6-5-13(24(27)28)11-16(17)21/h1-6,11-12H,7-10H2,(H,22,25)
InChIKeyCQZVUPSRSVEIPQ-UHFFFAOYSA-N
MW422.27 g/mol
LogP4.39
Rot. Bonds4

About 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17223292) has the molecular formula C19H17Cl2N3O4 and a molecular weight of 422.27 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
PubChem CID17223292
Molecular FormulaC19H17Cl2N3O4
Molecular Weight422.27 g/mol
Exact Mass421.06
IUPAC Name1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17Cl2N3O4/c20-15-4-2-1-3-14(15)19(26)23-9-7-12(8-10-23)18(25)22-17-6-5-13(24(27)28)11-16(17)21/h1-6,11-12H,7-10H2,(H,22,25)
InChIKeyCQZVUPSRSVEIPQ-UHFFFAOYSA-N
XLogP4.39
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 126058566
1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(2-chloro-5-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224082
1-[1-(2-chloro-4-nitrobenzoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881321
4-[4-(2-chloro-4-nitrobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 155098695
1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17223536
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 7936754
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide (CID 17223292) is 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is CQZVUPSRSVEIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O4/c20-15-4-2-1-3-14(15)19(26)23-9-7-12(8-10-23)18(25)22-17-6-5-13(24(27)28)11-16(17)21/h1-6,11-12H,7-10H2,(H,22,25).
What are the key properties of 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 422.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).