N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide

C15H16ClN3O3 — CID 39193126

IUPACN-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
SMILESNCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1Cl
InChIInChI=1S/C15H16ClN3O3/c16-11-6-5-10(18-15(21)13-3-2-8-22-13)9-12(11)19-14(20)4-1-7-17/h2-3,5-6,8-9H,1,4,7,17H2,(H,18,21)(H,19,20)
InChIKeyJCNLAOOTABZKPO-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide

N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide (PubChem CID 39193126) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
PubChem CID39193126
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
SMILESNCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1Cl
InChIInChI=1S/C15H16ClN3O3/c16-11-6-5-10(18-15(21)13-3-2-8-22-13)9-12(11)19-14(20)4-1-7-17/h2-3,5-6,8-9H,1,4,7,17H2,(H,18,21)(H,19,20)
InChIKeyJCNLAOOTABZKPO-UHFFFAOYSA-N
XLogP2.86
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pyridine-4-carboxamide
CID 39193137
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide (CID 39193126) is N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide is NCCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1Cl.
What is the InChIKey of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide?
The InChIKey is JCNLAOOTABZKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-11-6-5-10(18-15(21)13-3-2-8-22-13)9-12(11)19-14(20)4-1-7-17/h2-3,5-6,8-9H,1,4,7,17H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide?
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 39193126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).