N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide

C16H17ClN2O — CID 4201088

IUPACN-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-3-6-15(9-16(11)17)18-10-13-4-7-14(8-5-13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyPRMXPVBNYLVOEH-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.22
Rot. Bonds4

About N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide

N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide (PubChem CID 4201088) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide
PubChem CID4201088
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-3-6-15(9-16(11)17)18-10-13-4-7-14(8-5-13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyPRMXPVBNYLVOEH-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide (CID 4201088) is N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide?
The InChIKey is PRMXPVBNYLVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-3-6-15(9-16(11)17)18-10-13-4-7-14(8-5-13)19-12(2)20/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide?
N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide has a molecular weight of 288.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methylanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 4201088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).