2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide

C17H16Cl2N2O — CID 124566217

IUPAC2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-13-3-6-15(16(19)9-13)17(22)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H,21,22)/t12-/m0/s1
InChIKeyYZWPNJRYEPOABE-LBPRGKRZSA-N
MW335.23 g/mol
LogP4.32
Rot. Bonds3

About 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide

2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide (PubChem CID 124566217) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
PubChem CID124566217
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c18-13-3-6-15(16(19)9-13)17(22)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H,21,22)/t12-/m0/s1
InChIKeyYZWPNJRYEPOABE-LBPRGKRZSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951
2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 2819049
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
4-ethynyl-N-(4-pyrrolidin-3-ylphenyl)benzamide
CID 53250757
2-(3-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67241442

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide (CID 124566217) is 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide is O=C(Nc1ccc([C@H]2CCNC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide?
The InChIKey is YZWPNJRYEPOABE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-13-3-6-15(16(19)9-13)17(22)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H,21,22)/t12-/m0/s1.
What are the key properties of 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide?
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide has a molecular weight of 335.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 124566217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).