5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide

C16H16ClNO2 — CID 86956112

IUPAC5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide
SMILESCC1CC1C(NC(=O)c1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-10-9-12(10)15(11-5-3-2-4-6-11)18-16(19)13-7-8-14(17)20-13/h2-8,10,12,15H,9H2,1H3,(H,18,19)
InChIKeyBORZNJNQEDEQSR-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.06
Rot. Bonds4

About 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide

5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide (PubChem CID 86956112) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide
PubChem CID86956112
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide
SMILESCC1CC1C(NC(=O)c1ccc(Cl)o1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-10-9-12(10)15(11-5-3-2-4-6-11)18-16(19)13-7-8-14(17)20-13/h2-8,10,12,15H,9H2,1H3,(H,18,19)
InChIKeyBORZNJNQEDEQSR-UHFFFAOYSA-N
XLogP4.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide
CID 119336432
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
CID 119336431
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86956159
N-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61144631
2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide
CID 86956057
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide (CID 86956112) is 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide is CC1CC1C(NC(=O)c1ccc(Cl)o1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide?
The InChIKey is BORZNJNQEDEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-9-12(10)15(11-5-3-2-4-6-11)18-16(19)13-7-8-14(17)20-13/h2-8,10,12,15H,9H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide?
5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide has a molecular weight of 289.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide is sourced from PubChem (CID 86956112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).