4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide

C19H21ClN2O — CID 124566306

IUPAC4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CC[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)22-18-9-3-14(4-10-18)1-2-15-11-12-21-13-15/h3-10,15,21H,1-2,11-13H2,(H,22,23)/t15-/m1/s1
InChIKeyKYVJKKBHTNXODB-OAHLLOKOSA-N
MW328.84 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide

4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide (PubChem CID 124566306) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
PubChem CID124566306
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CC[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)22-18-9-3-14(4-10-18)1-2-15-11-12-21-13-15/h3-10,15,21H,1-2,11-13H2,(H,22,23)/t15-/m1/s1
InChIKeyKYVJKKBHTNXODB-OAHLLOKOSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
CID 67240233
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
1-(5-chloro-2-pyridinyl)-3-[4-(2-pyrrolidin-3-ylethyl)phenyl]urea
CID 53250440
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
4-(2-pyrrolidin-3-ylethyl)benzoic acid;hydrochloride
CID 126844922
N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide
CID 141320479
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide (CID 124566306) is 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide is O=C(Nc1ccc(CC[C@@H]2CCNC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide?
The InChIKey is KYVJKKBHTNXODB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-5-16(6-8-17)19(23)22-18-9-3-14(4-10-18)1-2-15-11-12-21-13-15/h3-10,15,21H,1-2,11-13H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide?
4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide is sourced from PubChem (CID 124566306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).