4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide

C18H19ClN2O — CID 124566275

IUPAC4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-3-15(4-6-16)18(22)21-17-7-1-13(2-8-17)11-14-9-10-20-12-14/h1-8,14,20H,9-12H2,(H,21,22)/t14-/m0/s1
InChIKeyKHCCZLOZZWQAFD-AWEZNQCLSA-N
MW314.82 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide

4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide (PubChem CID 124566275) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
PubChem CID124566275
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-16-5-3-15(4-6-16)18(22)21-17-7-1-13(2-8-17)11-14-9-10-20-12-14/h1-8,14,20H,9-12H2,(H,21,22)/t14-/m0/s1
InChIKeyKHCCZLOZZWQAFD-AWEZNQCLSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
CID 124566306
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-[4-[[(2S)-azetidin-2-yl]methyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 129137241
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid
CID 69497348
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 166622779
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171710418
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide (CID 124566275) is 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide is O=C(Nc1ccc(C[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide?
The InChIKey is KHCCZLOZZWQAFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-5-3-15(4-6-16)18(22)21-17-7-1-13(2-8-17)11-14-9-10-20-12-14/h1-8,14,20H,9-12H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide?
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide has a molecular weight of 314.82 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 124566275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).