1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea

C20H17N3O — CID 144925819

IUPAC1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)21-20(24)22-15-10-11-19-17(12-15)16-4-2-3-5-18(16)23-19/h2-12,23H,1H3,(H2,21,22,24)
InChIKeyAIAMFJGJZIZJIO-UHFFFAOYSA-N
MW315.38 g/mol
LogP5.27
Rot. Bonds2

About 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea

1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 144925819) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
PubChem CID144925819
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)21-20(24)22-15-10-11-19-17(12-15)16-4-2-3-5-18(16)23-19/h2-12,23H,1H3,(H2,21,22,24)
InChIKeyAIAMFJGJZIZJIO-UHFFFAOYSA-N
XLogP5.27
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
4-tert-butyl-N-(9H-carbazol-3-yl)benzamide
CID 43917219
N-(9H-carbazol-3-yl)-2-methylfuran-3-carboxamide
CID 43917235
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-(9H-carbazol-3-yl)-2-naphthalen-1-ylacetamide
CID 43917240
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
CID 172640271
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
CID 11545848

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea (CID 144925819) is 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is AIAMFJGJZIZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-6-8-14(9-7-13)21-20(24)22-15-10-11-19-17(12-15)16-4-2-3-5-18(16)23-19/h2-12,23H,1H3,(H2,21,22,24).
What are the key properties of 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea?
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 315.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 144925819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).