methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate

C18H18ClNO3 — CID 167956710

IUPACmethyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate
SMILESCCN(C(=O)c1cccc(CC(=O)OC)c1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-3-20(16-10-5-4-9-15(16)19)18(22)14-8-6-7-13(11-14)12-17(21)23-2/h4-11H,3,12H2,1-2H3
InChIKeyOCICXHHVKHNTDH-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.72
Rot. Bonds5

About methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate

methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate (PubChem CID 167956710) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate
PubChem CID167956710
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Namemethyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate
SMILESCCN(C(=O)c1cccc(CC(=O)OC)c1)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-3-20(16-10-5-4-9-15(16)19)18(22)14-8-6-7-13(11-14)12-17(21)23-2/h4-11H,3,12H2,1-2H3
InChIKeyOCICXHHVKHNTDH-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174530550
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methyl 2-[4-[[bromo-(2-chlorophenyl)carbamoyl]amino]phenyl]acetate
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2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
methyl 2-(3-carbamothioylphenyl)acetate
CID 155859053
methyl 2-[3-(2-bromoacetyl)phenyl]acetate
CID 19356183
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
methyl 2-(3-chloro-4-isocyanophenyl)acetate
CID 59377384
CID 172801156
CID 172801156
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate (CID 167956710) is methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate is CCN(C(=O)c1cccc(CC(=O)OC)c1)c1ccccc1Cl.
What is the InChIKey of methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate?
The InChIKey is OCICXHHVKHNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-20(16-10-5-4-9-15(16)19)18(22)14-8-6-7-13(11-14)12-17(21)23-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate?
methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate has a molecular weight of 331.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-chlorophenyl)-ethylcarbamoyl]phenyl]acetate is sourced from PubChem (CID 167956710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).