2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide

C15H13ClN2O3 — CID 106685634

IUPAC2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccoc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-12(7-8-21-13)15(20)18-11-5-3-10(4-6-11)17-14(19)9-1-2-9/h3-9H,1-2H2,(H,17,19)(H,18,20)
InChIKeyMKETXLRTBYKTAT-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide

2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide (PubChem CID 106685634) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
PubChem CID106685634
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccoc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-13-12(7-8-21-13)15(20)18-11-5-3-10(4-6-11)17-14(19)9-1-2-9/h3-9H,1-2H2,(H,17,19)(H,18,20)
InChIKeyMKETXLRTBYKTAT-UHFFFAOYSA-N
XLogP3.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106685912
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide (CID 106685634) is 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide?
The InChIKey is MKETXLRTBYKTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-12(7-8-21-13)15(20)18-11-5-3-10(4-6-11)17-14(19)9-1-2-9/h3-9H,1-2H2,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide?
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide has a molecular weight of 304.73 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106685634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).