N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H18ClFN2O2 — CID 4987994

IUPACN-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O2/c1-25-18-7-4-15(20)12-17(18)22-19(24)23-10-8-14(9-11-23)13-2-5-16(21)6-3-13/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyCVSWWLPXDKEWRI-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.81
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 4987994) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID4987994
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN2O2/c1-25-18-7-4-15(20)12-17(18)22-19(24)23-10-8-14(9-11-23)13-2-5-16(21)6-3-13/h2-8,12H,9-11H2,1H3,(H,22,24)
InChIKeyCVSWWLPXDKEWRI-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 4984483
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087898
N-[2-chloro-4-(2-hydroxyethoxy)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91509829
N-(5-chloro-2-methoxyphenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 17183829
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 4987994) is N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CVSWWLPXDKEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-25-18-7-4-15(20)12-17(18)22-19(24)23-10-8-14(9-11-23)13-2-5-16(21)6-3-13/h2-8,12H,9-11H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 4987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).