N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide

C19H20ClN3O — CID 141320479

IUPACN-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide
SMILESNC1=C[C@H](CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CN1
InChIInChI=1S/C19H20ClN3O/c20-16-7-5-15(6-8-16)19(24)23-17-9-3-13(4-10-17)1-2-14-11-18(21)22-12-14/h3-11,14,22H,1-2,12,21H2,(H,23,24)/t14-/m0/s1
InChIKeyKOEQEFAMLJZXRN-AWEZNQCLSA-N
MW341.84 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide

N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide (PubChem CID 141320479) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide
PubChem CID141320479
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide
SMILESNC1=C[C@H](CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CN1
InChIInChI=1S/C19H20ClN3O/c20-16-7-5-15(6-8-16)19(24)23-17-9-3-13(4-10-17)1-2-14-11-18(21)22-12-14/h3-11,14,22H,1-2,12,21H2,(H,23,24)/t14-/m0/s1
InChIKeyKOEQEFAMLJZXRN-AWEZNQCLSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]benzamide
CID 124566306
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
CID 67238737
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide (CID 141320479) is N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide is NC1=C[C@H](CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CN1.
What is the InChIKey of N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide?
The InChIKey is KOEQEFAMLJZXRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-16-7-5-15(6-8-16)19(24)23-17-9-3-13(4-10-17)1-2-14-11-18(21)22-12-14/h3-11,14,22H,1-2,12,21H2,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide?
N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide has a molecular weight of 341.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3S)-5-amino-2,3-dihydro-1H-pyrrol-3-yl]ethyl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 141320479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).