3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C25H24ClF2N3O2 — CID 142212472

IUPAC3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(N(c3ccc(Cl)cc3)c3cc(F)ccc3F)C2)cc1
InChIInChI=1S/C25H24ClF2N3O2/c1-33-22-11-7-19(8-12-22)29-25(32)30-14-2-3-21(16-30)31(20-9-4-17(26)5-10-20)24-15-18(27)6-13-23(24)28/h4-13,15,21H,2-3,14,16H2,1H3,(H,29,32)
InChIKeyHDBNLPRFUBCAFF-UHFFFAOYSA-N
MW471.94 g/mol
LogP6.46
Rot. Bonds5

About 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide

3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 142212472) has the molecular formula C25H24ClF2N3O2 and a molecular weight of 471.94 g/mol. Its IUPAC name is 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID142212472
Molecular FormulaC25H24ClF2N3O2
Molecular Weight471.94 g/mol
Exact Mass471.15
IUPAC Name3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(N(c3ccc(Cl)cc3)c3cc(F)ccc3F)C2)cc1
InChIInChI=1S/C25H24ClF2N3O2/c1-33-22-11-7-19(8-12-22)29-25(32)30-14-2-3-21(16-30)31(20-9-4-17(26)5-10-20)24-15-18(27)6-13-23(24)28/h4-13,15,21H,2-3,14,16H2,1H3,(H,29,32)
InChIKeyHDBNLPRFUBCAFF-UHFFFAOYSA-N
XLogP6.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-fluorophenyl)-5-[(3R)-1-[(4-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879254
(3S)-N-(2,4-difluorophenyl)-3-(N,4-dimethylanilino)piperidine-1-carboxamide
CID 97350787
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 142212472) is 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(N(c3ccc(Cl)cc3)c3cc(F)ccc3F)C2)cc1.
What is the InChIKey of 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HDBNLPRFUBCAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N3O2/c1-33-22-11-7-19(8-12-22)29-25(32)30-14-2-3-21(16-30)31(20-9-4-17(26)5-10-20)24-15-18(27)6-13-23(24)28/h4-13,15,21H,2-3,14,16H2,1H3,(H,29,32).
What are the key properties of 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 471.94 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-N-(2,5-difluorophenyl)anilino)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 142212472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).