1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea

C23H29Cl2N3O — CID 68953823

IUPAC1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl2N3O/c1-16(13-17-7-3-2-4-8-17)26-15-18-9-5-6-10-21(18)27-23(29)28-22-12-11-19(24)14-20(22)25/h5-6,9-12,14,16-17,26H,2-4,7-8,13,15H2,1H3,(H2,27,28,29)
InChIKeyUXEVZPDKIMQCJN-UHFFFAOYSA-N
MW434.41 g/mol
LogP7.09
Rot. Bonds7

About 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea

1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea (PubChem CID 68953823) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
PubChem CID68953823
Molecular FormulaC23H29Cl2N3O
Molecular Weight434.41 g/mol
Exact Mass433.17
IUPAC Name1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl2N3O/c1-16(13-17-7-3-2-4-8-17)26-15-18-9-5-6-10-21(18)27-23(29)28-22-12-11-19(24)14-20(22)25/h5-6,9-12,14,16-17,26H,2-4,7-8,13,15H2,1H3,(H2,27,28,29)
InChIKeyUXEVZPDKIMQCJN-UHFFFAOYSA-N
XLogP7.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 57.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
2-(4-chlorophenyl)sulfonyl-1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]guanidine
CID 87633952
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide
CID 68948097
4-(benzenesulfonyl)-N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]piperazine-1-carboxamide
CID 68953647
5-bromo-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 68949106
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 115762374

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea (CID 68953823) is 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea is CC(CC1CCCCC1)NCc1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea?
The InChIKey is UXEVZPDKIMQCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O/c1-16(13-17-7-3-2-4-8-17)26-15-18-9-5-6-10-21(18)27-23(29)28-22-12-11-19(24)14-20(22)25/h5-6,9-12,14,16-17,26H,2-4,7-8,13,15H2,1H3,(H2,27,28,29).
What are the key properties of 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea?
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea has a molecular weight of 434.41 g/mol, XLogP of 7.09, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 68953823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).