N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C15H17Cl2F3N2O — CID 120955326

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2Cl)CC1)C1CC(F)(F)CN1
InChIInChI=1S/C15H16ClF3N2O.ClH/c16-11-5-9(17)1-2-10(11)14(3-4-14)7-21-13(22)12-6-15(18,19)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,21,22);1H
InChIKeyPWCVQYAVTMRDJA-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.05
Rot. Bonds4

About N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955326) has the molecular formula C15H17Cl2F3N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955326
Molecular FormulaC15H17Cl2F3N2O
Molecular Weight369.21 g/mol
Exact Mass368.07
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(F)cc2Cl)CC1)C1CC(F)(F)CN1
InChIInChI=1S/C15H16ClF3N2O.ClH/c16-11-5-9(17)1-2-10(11)14(3-4-14)7-21-13(22)12-6-15(18,19)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,21,22);1H
InChIKeyPWCVQYAVTMRDJA-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methoxypropanamide
CID 97330719
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955458
2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
1-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123332
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034093
N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 138996449
2-[[[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036991
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 120955326) is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccc(F)cc2Cl)CC1)C1CC(F)(F)CN1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PWCVQYAVTMRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O.ClH/c16-11-5-9(17)1-2-10(11)14(3-4-14)7-21-13(22)12-6-15(18,19)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,21,22);1H.
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 369.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).