methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate

C16H16ClNO2 — CID 115461456

IUPACmethyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)10-12-4-2-3-5-13(12)11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3
InChIKeyKYDVNZAELOGHBR-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate

methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate (PubChem CID 115461456) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
PubChem CID115461456
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)10-12-4-2-3-5-13(12)11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3
InChIKeyKYDVNZAELOGHBR-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(3-chloroanilino)methyl]phenyl]acetate
CID 115461452
methyl 2-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetate
CID 107583241
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
methyl 2-[2-[(3-methylsulfanylanilino)methyl]phenyl]acetate
CID 115461388
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
4-chloro-N-[(3-methoxy-2-methylphenyl)methyl]aniline
CID 168969368
methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate (CID 115461456) is methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate?
The InChIKey is KYDVNZAELOGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-16(19)10-12-4-2-3-5-13(12)11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3.
What are the key properties of methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate?
methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate has a molecular weight of 289.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate is sourced from PubChem (CID 115461456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).