N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide

C19H23ClN2O3 — CID 86927049

IUPACN-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C19H23ClN2O3/c1-14(2)22(13-15-6-3-7-16(20)12-15)18(23)9-4-10-21-19(24)17-8-5-11-25-17/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,21,24)
InChIKeyDJRNVROAGJGFHI-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.88
Rot. Bonds8

About N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 86927049) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID86927049
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C19H23ClN2O3/c1-14(2)22(13-15-6-3-7-16(20)12-15)18(23)9-4-10-21-19(24)17-8-5-11-25-17/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,21,24)
InChIKeyDJRNVROAGJGFHI-UHFFFAOYSA-N
XLogP3.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24545173
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-[3-[(2,4-dichlorophenyl)methyl-methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2525635
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-4-oxobutyl]furan-2-carboxamide
CID 55364467
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51181607
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide (CID 86927049) is N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is DJRNVROAGJGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-14(2)22(13-15-6-3-7-16(20)12-15)18(23)9-4-10-21-19(24)17-8-5-11-25-17/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 86927049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).