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

C16H18ClN3O4 — CID 120589860

IUPACN-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
SMILESCOC(CN)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O4/c1-23-11(9-18)8-15(21)19-10-4-5-13(12(17)7-10)20-16(22)14-3-2-6-24-14/h2-7,11H,8-9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPLCQSAHNIYHHPW-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.49
Rot. Bonds7

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

N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide (PubChem CID 120589860) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
PubChem CID120589860
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC NameN-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide
SMILESCOC(CN)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O4/c1-23-11(9-18)8-15(21)19-10-4-5-13(12(17)7-10)20-16(22)14-3-2-6-24-14/h2-7,11H,8-9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyPLCQSAHNIYHHPW-UHFFFAOYSA-N
XLogP2.49
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide (CID 120589860) is N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide is COC(CN)CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1.
What is the InChIKey of N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide?
The InChIKey is PLCQSAHNIYHHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-23-11(9-18)8-15(21)19-10-4-5-13(12(17)7-10)20-16(22)14-3-2-6-24-14/h2-7,11H,8-9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide?
N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-3-methoxybutanoyl)amino]-2-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 120589860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).