N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide

C19H17ClF2N2O2 — CID 68558405

IUPACN-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCC(F)(F)C2)cc1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-7-1-13(2-8-16)11-23-17(25)14-3-5-15(6-4-14)18(26)24-10-9-19(21,22)12-24/h1-8H,9-12H2,(H,23,25)
InChIKeyHLXBSBWLVXDYEZ-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.75
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide

N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide (PubChem CID 68558405) has the molecular formula C19H17ClF2N2O2 and a molecular weight of 378.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide
PubChem CID68558405
Molecular FormulaC19H17ClF2N2O2
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCC(F)(F)C2)cc1
InChIInChI=1S/C19H17ClF2N2O2/c20-16-7-1-13(2-8-16)11-23-17(25)14-3-5-15(6-4-14)18(26)24-10-9-19(21,22)12-24/h1-8H,9-12H2,(H,23,25)
InChIKeyHLXBSBWLVXDYEZ-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
N-[[4-[3-(3,5-difluorophenyl)-3-fluoropyrrolidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166403662
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
(3S)-1-[4-(acetamidomethyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681968
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109047737
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide (CID 68558405) is N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)N2CCC(F)(F)C2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide?
The InChIKey is HLXBSBWLVXDYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O2/c20-16-7-1-13(2-8-16)11-23-17(25)14-3-5-15(6-4-14)18(26)24-10-9-19(21,22)12-24/h1-8H,9-12H2,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide has a molecular weight of 378.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(3,3-difluoropyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 68558405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).