N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C19H16BrClN2O3 — CID 55952733

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H16BrClN2O3/c1-11-15-10-13(21)4-7-16(15)26-18(11)19(25)22-9-8-17(24)23-14-5-2-12(20)3-6-14/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyCCPNGUQCDYDMLZ-UHFFFAOYSA-N
MW435.71 g/mol
LogP4.92
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55952733) has the molecular formula C19H16BrClN2O3 and a molecular weight of 435.71 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55952733
Molecular FormulaC19H16BrClN2O3
Molecular Weight435.71 g/mol
Exact Mass434.00
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C19H16BrClN2O3/c1-11-15-10-13(21)4-7-16(15)26-18(11)19(25)22-9-8-17(24)23-14-5-2-12(20)3-6-14/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyCCPNGUQCDYDMLZ-UHFFFAOYSA-N
XLogP4.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
5-bromo-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155942919
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
2-[2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241919
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 55952733) is N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCC(=O)Nc2ccc(Br)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CCPNGUQCDYDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O3/c1-11-15-10-13(21)4-7-16(15)26-18(11)19(25)22-9-8-17(24)23-14-5-2-12(20)3-6-14/h2-7,10H,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 435.71 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55952733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).