(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide

C19H20ClFN2O — CID 146649079

IUPAC(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)C2C[C@H](F)CCN2)cc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-12-4-2-3-5-15(12)16-7-6-14(11-17(16)20)23-19(24)18-10-13(21)8-9-22-18/h2-7,11,13,18,22H,8-10H2,1H3,(H,23,24)/t13-,18?/m1/s1
InChIKeyKFSMEKVXDOXXGD-YJJYDOSJSA-N
MW346.83 g/mol
LogP4.34
Rot. Bonds3

About (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide

(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide (PubChem CID 146649079) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide
PubChem CID146649079
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)C2C[C@H](F)CCN2)cc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-12-4-2-3-5-15(12)16-7-6-14(11-17(16)20)23-19(24)18-10-13(21)8-9-22-18/h2-7,11,13,18,22H,8-10H2,1H3,(H,23,24)/t13-,18?/m1/s1
InChIKeyKFSMEKVXDOXXGD-YJJYDOSJSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
CID 157218619
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 144912115
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-tert-butyl-4-methylphenyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 169075067
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide?
The IUPAC name of (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide (CID 146649079) is (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide.
What is the SMILES notation for (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide?
The canonical SMILES for (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide is Cc1ccccc1-c1ccc(NC(=O)C2C[C@H](F)CCN2)cc1Cl.
What is the InChIKey of (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide?
The InChIKey is KFSMEKVXDOXXGD-YJJYDOSJSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12-4-2-3-5-15(12)16-7-6-14(11-17(16)20)23-19(24)18-10-13(21)8-9-22-18/h2-7,11,13,18,22H,8-10H2,1H3,(H,23,24)/t13-,18?/m1/s1.
What are the key properties of (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide?
(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide has a molecular weight of 346.83 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide is sourced from PubChem (CID 146649079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).