1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea

C13H19ClN2O — CID 115618548

IUPAC1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15(3)10-11-7-6-8-12(14)9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyFRBXENCSZNCLLR-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.23
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea

1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea (PubChem CID 115618548) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
PubChem CID115618548
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
SMILESCCN(CC)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15(3)10-11-7-6-8-12(14)9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyFRBXENCSZNCLLR-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
2-[[(3-chlorophenyl)methyl-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 61417134
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3,3-diethyl-1-methylurea
CID 79161987
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-chlorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 107261420
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
4,5-dichloro-N-[(3-chlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 86915193

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea (CID 115618548) is 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea is CCN(CC)C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea?
The InChIKey is FRBXENCSZNCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15(3)10-11-7-6-8-12(14)9-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea?
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea has a molecular weight of 254.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea is sourced from PubChem (CID 115618548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).