N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C26H23ClF2N2O2 — CID 55376976

IUPACN-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C26H23ClF2N2O2/c27-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)30-25(32)19-12-14-31(15-13-19)26(33)22-11-10-21(28)16-23(22)29/h1-11,16,19,24H,12-15H2,(H,30,32)
InChIKeyPDMSGPDHURRSQD-UHFFFAOYSA-N
MW468.93 g/mol
LogP5.38
Rot. Bonds5

About N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 55376976) has the molecular formula C26H23ClF2N2O2 and a molecular weight of 468.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID55376976
Molecular FormulaC26H23ClF2N2O2
Molecular Weight468.93 g/mol
Exact Mass468.14
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C26H23ClF2N2O2/c27-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)30-25(32)19-12-14-31(15-13-19)26(33)22-11-10-21(28)16-23(22)29/h1-11,16,19,24H,12-15H2,(H,30,32)
InChIKeyPDMSGPDHURRSQD-UHFFFAOYSA-N
XLogP5.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.93
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-[2-(diethylamino)-2-phenylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 24649842
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 55376976) is N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PDMSGPDHURRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N2O2/c27-20-8-6-18(7-9-20)24(17-4-2-1-3-5-17)30-25(32)19-12-14-31(15-13-19)26(33)22-11-10-21(28)16-23(22)29/h1-11,16,19,24H,12-15H2,(H,30,32).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 468.93 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55376976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).