2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide

C15H15ClN2O2 — CID 13013378

IUPAC2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-6-12(7-9-14)17-11-2-4-13(5-3-11)18-15(19)10-16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyFPMNFXKDQWFTFL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide

2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide (PubChem CID 13013378) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
PubChem CID13013378
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-6-12(7-9-14)17-11-2-4-13(5-3-11)18-15(19)10-16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyFPMNFXKDQWFTFL-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide (CID 13013378) is 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide is COc1ccc(Nc2ccc(NC(=O)CCl)cc2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide?
The InChIKey is FPMNFXKDQWFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-8-6-12(7-9-14)17-11-2-4-13(5-3-11)18-15(19)10-16/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide?
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide has a molecular weight of 290.75 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide is sourced from PubChem (CID 13013378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).