1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea

C19H25ClN2O — CID 98157418

IUPAC1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea
SMILESC[C@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C19H25ClN2O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)22-16(23)21-15-5-3-4-14(20)6-15/h3-6,13H,7-12H2,1-2H3,(H2,21,22,23)/t13?,17-,18-,19?/m1/s1
InChIKeyBUODOHUYRDRAHQ-HSOIFAIESA-N
MW332.88 g/mol
LogP5.21
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea

1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea (PubChem CID 98157418) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea
PubChem CID98157418
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea
SMILESC[C@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C19H25ClN2O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)22-16(23)21-15-5-3-4-14(20)6-15/h3-6,13H,7-12H2,1-2H3,(H2,21,22,23)/t13?,17-,18-,19?/m1/s1
InChIKeyBUODOHUYRDRAHQ-HSOIFAIESA-N
XLogP5.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.88
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethyl-1-adamantyl)-3-[3-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-4-methylphenyl]urea
CID 3352396
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea
CID 3599813
(2S)-2-[3-[(3-chlorophenyl)carbamoylamino]-1-bicyclo[1.1.1]pentanyl]-N-(4-fluorophenyl)propanamide
CID 162499057
1-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3-[(3R,5S)-3,5-dimethyl-1-adamantyl]urea
CID 175461156
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[(3,5-dimethyl-1-adamantyl)carbamoylamino]propanoic acid
CID 139490720
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
1-[(3,5-dimethyl-1-adamantyl)methyl]-3-phenylurea
CID 2873785
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
CID 4606569

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea (CID 98157418) is 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea is C[C@]12CC3CC(NC(=O)Nc4cccc(Cl)c4)(C1)C[C@](C)(C3)C2.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea?
The InChIKey is BUODOHUYRDRAHQ-HSOIFAIESA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)22-16(23)21-15-5-3-4-14(20)6-15/h3-6,13H,7-12H2,1-2H3,(H2,21,22,23)/t13?,17-,18-,19?/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea?
1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea has a molecular weight of 332.88 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-adamantyl]urea is sourced from PubChem (CID 98157418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).