N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide

C17H19ClN2O2 — CID 34217695

IUPACN-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-4-5-13(9-16(12)18)19-17(21)11-20(14-6-7-14)10-15-3-2-8-22-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyKJWLVQQQWQUJLG-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.84
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide (PubChem CID 34217695) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
PubChem CID34217695
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-4-5-13(9-16(12)18)19-17(21)11-20(14-6-7-14)10-15-3-2-8-22-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyKJWLVQQQWQUJLG-UHFFFAOYSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 55827232
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077887
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 50971822

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide (CID 34217695) is N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide is Cc1ccc(NC(=O)CN(Cc2ccco2)C2CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide?
The InChIKey is KJWLVQQQWQUJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-4-5-13(9-16(12)18)19-17(21)11-20(14-6-7-14)10-15-3-2-8-22-15/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide has a molecular weight of 318.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 34217695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).