1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea

C19H21ClN2O — CID 550184

IUPAC1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-14(16-7-8-16)22(13-15-5-3-2-4-6-15)19(23)21-18-11-9-17(20)10-12-18/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23)
InChIKeySPGVDNMNRJDLGJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.17
Rot. Bonds5

About 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea

1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea (PubChem CID 550184) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
PubChem CID550184
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O/c1-14(16-7-8-16)22(13-15-5-3-2-4-6-15)19(23)21-18-11-9-17(20)10-12-18/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23)
InChIKeySPGVDNMNRJDLGJ-UHFFFAOYSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[benzyl-[(4-chlorophenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 11792903
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CID 92643816
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
CID 560931
1-benzyl-1-(1-cyclopropylethyl)-3-phenylthiourea
CID 14893622
1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
CID 166280977
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CID 143030440
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
CID 75854502
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324
1-benzyl-1-[(1S)-1-cyclopropylethyl]-3-thieno[3,2-d][1,3]thiazol-2-ylurea
CID 97019170
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CID 60948375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea (CID 550184) is 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea is CC(C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea?
The InChIKey is SPGVDNMNRJDLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14(16-7-8-16)22(13-15-5-3-2-4-6-15)19(23)21-18-11-9-17(20)10-12-18/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea?
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea has a molecular weight of 328.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea is sourced from PubChem (CID 550184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).