N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide

C21H23ClN2O2 — CID 38252259

IUPACN-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESO=C(NCCCC(=O)N(Cc1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-8-17(9-11-18)21(26)23-14-4-7-20(25)24(19-12-13-19)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)
InChIKeyJPWZWVMOMMCPBS-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.04
Rot. Bonds8

About N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide

N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 38252259) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID38252259
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESO=C(NCCCC(=O)N(Cc1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-10-8-17(9-11-18)21(26)23-14-4-7-20(25)24(19-12-13-19)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26)
InChIKeyJPWZWVMOMMCPBS-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
4-[[(4-chlorophenyl)methyl-cyclopropylcarbamoyl]amino]butanoic acid
CID 122021537
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
N-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18164911
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
4-chloro-N-[4-[dimethylamino-(1,1-dioxothiolan-3-yl)amino]-4-oxobutyl]benzamide
CID 154747651
4-chloro-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119552421
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide (CID 38252259) is N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide is O=C(NCCCC(=O)N(Cc1ccccc1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is JPWZWVMOMMCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-10-8-17(9-11-18)21(26)23-14-4-7-20(25)24(19-12-13-19)15-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,23,26).
What are the key properties of N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 370.88 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 38252259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).