N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

C21H23ClN2O — CID 95714688

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C21H23ClN2O/c22-17-7-5-16(6-8-17)21(10-11-21)14-24-20(25)19-4-2-1-3-18(19)15-9-12-23-13-15/h1-8,15,23H,9-14H2,(H,24,25)/t15-/m1/s1
InChIKeyXUIYPFVXJWVCOI-OAHLLOKOSA-N
MW354.88 g/mol
LogP3.88
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 95714688) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID95714688
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C21H23ClN2O/c22-17-7-5-16(6-8-17)21(10-11-21)14-24-20(25)19-4-2-1-3-18(19)15-9-12-23-13-15/h1-8,15,23H,9-14H2,(H,24,25)/t15-/m1/s1
InChIKeyXUIYPFVXJWVCOI-OAHLLOKOSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42265711
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (CID 95714688) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccccc1[C@@H]1CCNC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is XUIYPFVXJWVCOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-17-7-5-16(6-8-17)21(10-11-21)14-24-20(25)19-4-2-1-3-18(19)15-9-12-23-13-15/h1-8,15,23H,9-14H2,(H,24,25)/t15-/m1/s1.
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 354.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95714688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).