N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide

C14H15ClN2O2 — CID 855925

IUPACN-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyRKDWFVDRXCPKRU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.97
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide

N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide (PubChem CID 855925) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
PubChem CID855925
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccco2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyRKDWFVDRXCPKRU-UHFFFAOYSA-N
XLogP2.97
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide (CID 855925) is N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide is Cc1ccc(NC(=O)CNCc2ccco2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide?
The InChIKey is RKDWFVDRXCPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10-4-5-11(7-13(10)15)17-14(18)9-16-8-12-3-2-6-19-12/h2-7,16H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide has a molecular weight of 278.74 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(furan-2-ylmethylamino)acetamide is sourced from PubChem (CID 855925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).