N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide

C17H19ClN4O4 — CID 42943329

IUPACN-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide
SMILESNC(=O)NC(CC(=O)NCCNC(=O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O4/c18-12-5-2-1-4-11(12)13(22-17(19)25)10-15(23)20-7-8-21-16(24)14-6-3-9-26-14/h1-6,9,13H,7-8,10H2,(H,20,23)(H,21,24)(H3,19,22,25)
InChIKeyNSECETQGVSDJIT-UHFFFAOYSA-N
MW378.82 g/mol
LogP1.58
Rot. Bonds8

About N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 42943329) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide
PubChem CID42943329
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC NameN-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide
SMILESNC(=O)NC(CC(=O)NCCNC(=O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O4/c18-12-5-2-1-4-11(12)13(22-17(19)25)10-15(23)20-7-8-21-16(24)14-6-3-9-26-14/h1-6,9,13H,7-8,10H2,(H,20,23)(H,21,24)(H3,19,22,25)
InChIKeyNSECETQGVSDJIT-UHFFFAOYSA-N
XLogP1.58
TPSA126.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 51872823
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149
N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 86926361
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
CID 31826214
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757798
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide (CID 42943329) is N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide is NC(=O)NC(CC(=O)NCCNC(=O)c1ccco1)c1ccccc1Cl.
What is the InChIKey of N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is NSECETQGVSDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c18-12-5-2-1-4-11(12)13(22-17(19)25)10-15(23)20-7-8-21-16(24)14-6-3-9-26-14/h1-6,9,13H,7-8,10H2,(H,20,23)(H,21,24)(H3,19,22,25).
What are the key properties of N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 1.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(carbamoylamino)-3-(2-chlorophenyl)propanoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42943329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).