3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea

C19H22ClN3O — CID 159086975

IUPAC3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](c1ccccn1)N(C(=O)Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C19H22ClN3O/c1-14(18-8-4-5-13-21-18)23(17-6-2-3-7-17)19(24)22-16-11-9-15(20)10-12-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyKBOFIVKYMHYMOP-AWEZNQCLSA-N
MW343.86 g/mol
LogP5.27
Rot. Bonds4

About 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea

3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 159086975) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID159086975
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](c1ccccn1)N(C(=O)Nc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C19H22ClN3O/c1-14(18-8-4-5-13-21-18)23(17-6-2-3-7-17)19(24)22-16-11-9-15(20)10-12-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyKBOFIVKYMHYMOP-AWEZNQCLSA-N
XLogP5.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(3,4-dimethylphenyl)-1-(1-pyridin-2-ylethyl)urea
CID 3445678
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 95786667
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 150441182
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
N'-[1-(4-chlorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N'-cyclopentyl-N-pyridin-2-ylbutanediamide
CID 3871123
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935429

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea (CID 159086975) is 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea is C[C@@H](c1ccccn1)N(C(=O)Nc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is KBOFIVKYMHYMOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14(18-8-4-5-13-21-18)23(17-6-2-3-7-17)19(24)22-16-11-9-15(20)10-12-16/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 343.86 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 159086975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).