ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate

C18H19ClN2O4 — CID 9270970

IUPACethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-4-25-18(23)20-13-7-5-6-12(9-13)17(22)21-15-8-11(2)14(19)10-16(15)24-3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJHDQVOWCDKARKV-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.48
Rot. Bonds5

About ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 9270970) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
PubChem CID9270970
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Nameethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C18H19ClN2O4/c1-4-25-18(23)20-13-7-5-6-12(9-13)17(22)21-15-8-11(2)14(19)10-16(15)24-3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJHDQVOWCDKARKV-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2636872
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906791
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate (CID 9270970) is ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1.
What is the InChIKey of ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is JHDQVOWCDKARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-25-18(23)20-13-7-5-6-12(9-13)17(22)21-15-8-11(2)14(19)10-16(15)24-3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 362.81 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9270970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).