N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide

C19H20ClFN2O — CID 119778756

IUPACN-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCNC2)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O/c1-12-2-4-13(5-3-12)18(16-7-6-15(21)10-17(16)20)23-19(24)14-8-9-22-11-14/h2-7,10,14,18,22H,8-9,11H2,1H3,(H,23,24)
InChIKeyXXCHSUYNEJXSAC-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.60
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide

N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119778756) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID119778756
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCNC2)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O/c1-12-2-4-13(5-3-12)18(16-7-6-15(21)10-17(16)20)23-19(24)14-8-9-22-11-14/h2-7,10,14,18,22H,8-9,11H2,1H3,(H,23,24)
InChIKeyXXCHSUYNEJXSAC-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
1-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 111109492
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120562466
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide (CID 119778756) is N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide is Cc1ccc(C(NC(=O)C2CCNC2)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XXCHSUYNEJXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12-2-4-13(5-3-12)18(16-7-6-15(21)10-17(16)20)23-19(24)14-8-9-22-11-14/h2-7,10,14,18,22H,8-9,11H2,1H3,(H,23,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 346.83 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119778756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).