2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide

C22H21ClN2O3 — CID 55772978

IUPAC2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H21ClN2O3/c23-17-12-10-16(11-13-17)5-3-9-21(26)25-20-8-2-1-7-19(20)22(27)24-15-18-6-4-14-28-18/h1-2,4,6-8,10-14H,3,5,9,15H2,(H,24,27)(H,25,26)
InChIKeySZNLJNCBQGAMKH-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.82
Rot. Bonds8

About 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide

2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55772978) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID55772978
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CCCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H21ClN2O3/c23-17-12-10-16(11-13-17)5-3-9-21(26)25-20-8-2-1-7-19(20)22(27)24-15-18-6-4-14-28-18/h1-2,4,6-8,10-14H,3,5,9,15H2,(H,24,27)(H,25,26)
InChIKeySZNLJNCBQGAMKH-UHFFFAOYSA-N
XLogP4.82
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317344
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
CID 24563028
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide (CID 55772978) is 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide is O=C(CCCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SZNLJNCBQGAMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-17-12-10-16(11-13-17)5-3-9-21(26)25-20-8-2-1-7-19(20)22(27)24-15-18-6-4-14-28-18/h1-2,4,6-8,10-14H,3,5,9,15H2,(H,24,27)(H,25,26).
What are the key properties of 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide?
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 396.87 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55772978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).