2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid

C18H19ClN2O5 — CID 23851190

IUPAC2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1Cl)C(=O)O
InChIInChI=1S/C18H19ClN2O5/c1-10(2)8-14(18(24)25)21-16(22)12-6-5-11(9-13(12)19)20-17(23)15-4-3-7-26-15/h3-7,9-10,14H,8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyNLPQTBXZODZIGO-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.41
Rot. Bonds7

About 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid

2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 23851190) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
PubChem CID23851190
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1Cl)C(=O)O
InChIInChI=1S/C18H19ClN2O5/c1-10(2)8-14(18(24)25)21-16(22)12-6-5-11(9-13(12)19)20-17(23)15-4-3-7-26-15/h3-7,9-10,14H,8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyNLPQTBXZODZIGO-UHFFFAOYSA-N
XLogP3.41
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363496
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
2-[[2-chloro-4-(thiophene-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 23799051
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
(2S)-2-[(2-chloro-4-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119361057
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
(2S)-2-[[2-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694592
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46600099
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid (CID 23851190) is 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc(NC(=O)c2ccco2)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is NLPQTBXZODZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-10(2)8-14(18(24)25)21-16(22)12-6-5-11(9-13(12)19)20-17(23)15-4-3-7-26-15/h3-7,9-10,14H,8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 378.81 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23851190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).