N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide

C18H17ClF2N2O — CID 119806108

IUPACN-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C18H17ClF2N2O/c19-15-4-2-1-3-13(15)17(14-9-12(20)5-6-16(14)21)23-18(24)11-7-8-22-10-11/h1-6,9,11,17,22H,7-8,10H2,(H,23,24)
InChIKeyKNRZVRLVYWZPCS-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide

N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 119806108) has the molecular formula C18H17ClF2N2O and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID119806108
Molecular FormulaC18H17ClF2N2O
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)c1ccccc1Cl)C1CCNC1
InChIInChI=1S/C18H17ClF2N2O/c19-15-4-2-1-3-13(15)17(14-9-12(20)5-6-16(14)21)23-18(24)11-7-8-22-10-11/h1-6,9,11,17,22H,7-8,10H2,(H,23,24)
InChIKeyKNRZVRLVYWZPCS-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806095
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119778756
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide (CID 119806108) is N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide is O=C(NC(c1cc(F)ccc1F)c1ccccc1Cl)C1CCNC1.
What is the InChIKey of N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KNRZVRLVYWZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O/c19-15-4-2-1-3-13(15)17(14-9-12(20)5-6-16(14)21)23-18(24)11-7-8-22-10-11/h1-6,9,11,17,22H,7-8,10H2,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide?
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119806108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).