1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea

C19H21ClN2O — CID 41200260

IUPAC1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H21ClN2O/c1-22(13-14-5-3-2-4-6-14)19(23)21-18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDYCBOGJUSOJPNB-SFHVURJKSA-N
MW328.84 g/mol
LogP4.63
Rot. Bonds5

About 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea

1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea (PubChem CID 41200260) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
PubChem CID41200260
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C19H21ClN2O/c1-22(13-14-5-3-2-4-6-14)19(23)21-18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyDYCBOGJUSOJPNB-SFHVURJKSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(4-chlorophenyl)-2-cyclopropyl-N-methylacetamide
CID 110301089
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
1-[(4-bromophenyl)methyl]-3-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methylurea
CID 60542876
(2R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010517
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S,3R)-2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxybutanoic acid
CID 104965970

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea (CID 41200260) is 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea is CN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea?
The InChIKey is DYCBOGJUSOJPNB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22(13-14-5-3-2-4-6-14)19(23)21-18(15-7-8-15)16-9-11-17(20)12-10-16/h2-6,9-12,15,18H,7-8,13H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea?
1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea has a molecular weight of 328.84 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-methylurea is sourced from PubChem (CID 41200260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).