N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C18H20ClN3O4 — CID 55917649

IUPACN-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H20ClN3O4/c1-11-9-15(12(2)26-11)18(25)22-10-16(23)20-7-8-21-17(24)13-3-5-14(19)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDCLUSCVDCNXCBU-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55917649) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55917649
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H20ClN3O4/c1-11-9-15(12(2)26-11)18(25)22-10-16(23)20-7-8-21-17(24)13-3-5-14(19)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyDCLUSCVDCNXCBU-UHFFFAOYSA-N
XLogP1.83
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4787903
N-[2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55880013
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110004082
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
CID 78895454
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55917649) is N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCCNC(=O)c2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DCLUSCVDCNXCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-11-9-15(12(2)26-11)18(25)22-10-16(23)20-7-8-21-17(24)13-3-5-14(19)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55917649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).