4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide

C31H31ClN2O — CID 143191288

IUPAC4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide
SMILESCCN(CCCCCc1ccncc1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C31H31ClN2O/c1-2-34(22-8-4-5-9-24-18-20-33-21-19-24)31(35)28-16-17-30(32)29(23-28)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h3,6-7,10-21,23H,2,4-5,8-9,22H2,1H3
InChIKeyZXATWVWUJWDFPI-UHFFFAOYSA-N
MW483.06 g/mol
LogP7.94
Rot. Bonds10

About 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide

4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide (PubChem CID 143191288) has the molecular formula C31H31ClN2O and a molecular weight of 483.06 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide
PubChem CID143191288
Molecular FormulaC31H31ClN2O
Molecular Weight483.06 g/mol
Exact Mass482.21
IUPAC Name4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide
SMILESCCN(CCCCCc1ccncc1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C31H31ClN2O/c1-2-34(22-8-4-5-9-24-18-20-33-21-19-24)31(35)28-16-17-30(32)29(23-28)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h3,6-7,10-21,23H,2,4-5,8-9,22H2,1H3
InChIKeyZXATWVWUJWDFPI-UHFFFAOYSA-N
XLogP7.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
CID 60738878
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
CID 118760660
N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
CID 119072670
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide?
The IUPAC name of 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide (CID 143191288) is 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide is CCN(CCCCCc1ccncc1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide?
The InChIKey is ZXATWVWUJWDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN2O/c1-2-34(22-8-4-5-9-24-18-20-33-21-19-24)31(35)28-16-17-30(32)29(23-28)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h3,6-7,10-21,23H,2,4-5,8-9,22H2,1H3.
What are the key properties of 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide?
4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide has a molecular weight of 483.06 g/mol, XLogP of 7.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-(4-phenylphenyl)-N-(5-pyridin-4-ylpentyl)benzamide is sourced from PubChem (CID 143191288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).