1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea

C11H12ClN3O — CID 125478630

IUPAC1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea
SMILESC[C@H](C#N)NC(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O/c1-8(7-13)14-11(16)15(2)10-5-3-4-9(12)6-10/h3-6,8H,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeySEOGTZMHJVONMW-MRVPVSSYSA-N
MW237.69 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea

1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea (PubChem CID 125478630) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea
PubChem CID125478630
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea
SMILESC[C@H](C#N)NC(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3O/c1-8(7-13)14-11(16)15(2)10-5-3-4-9(12)6-10/h3-6,8H,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeySEOGTZMHJVONMW-MRVPVSSYSA-N
XLogP2.40
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-cyanoethyl]-1-methyl-1-[4-(trifluoromethyl)phenyl]urea
CID 125488846
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CID 131854278
2,5-dichloro-N-(1-cyanoethyl)benzamide
CID 61121833
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
2-[3-chloro-N-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]anilino]acetic acid
CID 61465880
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
1-(6-bromo-3-pyridinyl)-3-(3-chlorophenyl)-1,3-dimethylurea
CID 85470187
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
propyl N-(3-chlorophenyl)-N-methylcarbamate
CID 174449903

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea (CID 125478630) is 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea is C[C@H](C#N)NC(=O)N(C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea?
The InChIKey is SEOGTZMHJVONMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8(7-13)14-11(16)15(2)10-5-3-4-9(12)6-10/h3-6,8H,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea?
1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea has a molecular weight of 237.69 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1R)-1-cyanoethyl]-1-methylurea is sourced from PubChem (CID 125478630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).