N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide

C21H19ClN2O2 — CID 112986980

IUPACN-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-26-20-11-5-15(6-12-20)13-21(25)24-18-9-7-17(8-10-18)23-19-4-2-3-16(22)14-19/h2-12,14,23H,13H2,1H3,(H,24,25)
InChIKeyFIBMHOZKYLYYIO-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.27
Rot. Bonds6

About N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 112986980) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID112986980
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c1-26-20-11-5-15(6-12-20)13-21(25)24-18-9-7-17(8-10-18)23-19-4-2-3-16(22)14-19/h2-12,14,23H,13H2,1H3,(H,24,25)
InChIKeyFIBMHOZKYLYYIO-UHFFFAOYSA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide (CID 112986980) is N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FIBMHOZKYLYYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-26-20-11-5-15(6-12-20)13-21(25)24-18-9-7-17(8-10-18)23-19-4-2-3-16(22)14-19/h2-12,14,23H,13H2,1H3,(H,24,25).
What are the key properties of N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 366.85 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 112986980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).