1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

C19H20ClFN2O — CID 41200264

IUPAC1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O/c1-12(13-6-10-17(21)11-7-13)22-19(24)23-18(14-2-3-14)15-4-8-16(20)9-5-15/h4-12,14,18H,2-3H2,1H3,(H2,22,23,24)/t12-,18+/m1/s1
InChIKeyTXICMUBBFALAJD-XIKOKIGWSA-N
MW346.83 g/mol
LogP4.99
Rot. Bonds5

About 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea

1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (PubChem CID 41200264) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
PubChem CID41200264
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O/c1-12(13-6-10-17(21)11-7-13)22-19(24)23-18(14-2-3-14)15-4-8-16(20)9-5-15/h4-12,14,18H,2-3H2,1H3,(H2,22,23,24)/t12-,18+/m1/s1
InChIKeyTXICMUBBFALAJD-XIKOKIGWSA-N
XLogP4.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea (CID 41200264) is 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
The InChIKey is TXICMUBBFALAJD-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12(13-6-10-17(21)11-7-13)22-19(24)23-18(14-2-3-14)15-4-8-16(20)9-5-15/h4-12,14,18H,2-3H2,1H3,(H2,22,23,24)/t12-,18+/m1/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea?
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea has a molecular weight of 346.83 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 41200264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).