[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid

C10H11ClN2O3 — CID 70531059

IUPAC[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-12(9(14)13(2)10(15)16)8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,15,16)
InChIKeyMDRMSOKUYUEOJI-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.51
Rot. Bonds1

About [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid

[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid (PubChem CID 70531059) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
PubChem CID70531059
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-12(9(14)13(2)10(15)16)8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,15,16)
InChIKeyMDRMSOKUYUEOJI-UHFFFAOYSA-N
XLogP2.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
(E)-4-(4-chloro-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177102
1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
CID 102415940
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
4-(4-chloro-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165254
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 4255555
1,3-bis(4-iodophenyl)-1,3-dimethylurea
CID 101347516
N-(4-chlorophenyl)-N-methyl-3-oxopentanamide
CID 59675998
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
[2-(4-chloro-N-methylanilino)-2-oxoethyl] acetate
CID 134104348

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid?
The IUPAC name of [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid (CID 70531059) is [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid.
What is the SMILES notation for [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid?
The canonical SMILES for [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid is CN(C(=O)O)C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid?
The InChIKey is MDRMSOKUYUEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-12(9(14)13(2)10(15)16)8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,15,16).
What are the key properties of [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid?
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid has a molecular weight of 242.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid is sourced from PubChem (CID 70531059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).