N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide

C17H19ClN2O — CID 43690141

IUPACN-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-14(12(2)8-11)10-19-15-6-7-17(16(18)9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyTYXBFUJUMDDOAQ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.53
Rot. Bonds4

About N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide

N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide (PubChem CID 43690141) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
PubChem CID43690141
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-14(12(2)8-11)10-19-15-6-7-17(16(18)9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21)
InChIKeyTYXBFUJUMDDOAQ-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
2-chloro-5-[(2,4-dimethylphenyl)methylamino]benzonitrile
CID 43686808
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
N-[2-chloro-4-(heptylamino)phenyl]acetamide
CID 43690209
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide (CID 43690141) is N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(C)cc2C)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
The InChIKey is TYXBFUJUMDDOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-4-5-14(12(2)8-11)10-19-15-6-7-17(16(18)9-15)20-13(3)21/h4-9,19H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide?
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43690141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).