N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide

C21H23ClN2O2 — CID 51187247

IUPACN-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-8-9-15)24-19(25)7-4-14-23-21(26)17-5-2-1-3-6-17/h1-3,5-6,10-13,15,20H,4,7-9,14H2,(H,23,26)(H,24,25)
InChIKeyNGLJSRDQMJUNQX-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide

N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide (PubChem CID 51187247) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
PubChem CID51187247
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-8-9-15)24-19(25)7-4-14-23-21(26)17-5-2-1-3-6-17/h1-3,5-6,10-13,15,20H,4,7-9,14H2,(H,23,26)(H,24,25)
InChIKeyNGLJSRDQMJUNQX-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39594557
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide (CID 51187247) is N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is NGLJSRDQMJUNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-8-9-15)24-19(25)7-4-14-23-21(26)17-5-2-1-3-6-17/h1-3,5-6,10-13,15,20H,4,7-9,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide?
N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51187247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).