1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea

C24H24ClN5O3 — CID 57043399

IUPAC1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea
SMILESCc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H24ClN5O3/c1-15-7-9-17(10-8-15)21(28-23(32)27-19-13-11-18(25)12-14-19)20(16-5-3-2-4-6-16)29-24(33)30-22(26)31/h2-14,20-21H,1H3,(H2,27,28,32)(H4,26,29,30,31,33)/t20-,21+/m1/s1
InChIKeyKFBVJTUHUVXOGE-RTWAWAEBSA-N
MW465.94 g/mol
LogP4.63
Rot. Bonds6

About 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea

1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea (PubChem CID 57043399) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea
PubChem CID57043399
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea
SMILESCc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H24ClN5O3/c1-15-7-9-17(10-8-15)21(28-23(32)27-19-13-11-18(25)12-14-19)20(16-5-3-2-4-6-16)29-24(33)30-22(26)31/h2-14,20-21H,1H3,(H2,27,28,32)(H4,26,29,30,31,33)/t20-,21+/m1/s1
InChIKeyKFBVJTUHUVXOGE-RTWAWAEBSA-N
XLogP4.63
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea with MolForge

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Related Compounds

[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea
CID 15231970
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
benzamide;1-chloro-4-methylbenzene;methane;N-(4-methylphenyl)benzamide
CID 158954250
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
CID 100952143
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
dimethyl 2-[(R)-(4-chloroanilino)-phenylmethyl]propanedioate
CID 804005
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea?
The IUPAC name of 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea (CID 57043399) is 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea.
What is the SMILES notation for 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea?
The canonical SMILES for 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea is Cc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](NC(=O)NC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea?
The InChIKey is KFBVJTUHUVXOGE-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-15-7-9-17(10-8-15)21(28-23(32)27-19-13-11-18(25)12-14-19)20(16-5-3-2-4-6-16)29-24(33)30-22(26)31/h2-14,20-21H,1H3,(H2,27,28,32)(H4,26,29,30,31,33)/t20-,21+/m1/s1.
What are the key properties of 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea?
1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea has a molecular weight of 465.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea is sourced from PubChem (CID 57043399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).