1-(4-anilino-3-methanimidoylphenyl)-3-methylurea

C15H16N4O — CID 139442921

IUPAC1-(4-anilino-3-methanimidoylphenyl)-3-methylurea
SMILES[H]/N=C/c1cc(NC(=O)NC)ccc1Nc1ccccc1
InChIInChI=1S/C15H16N4O/c1-17-15(20)19-13-7-8-14(11(9-13)10-16)18-12-5-3-2-4-6-12/h2-10,16,18H,1H3,(H2,17,19,20)/b16-10+
InChIKeyQLZSDKSAYHUWBQ-MHWRWJLKSA-N
MW268.32 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea

1-(4-anilino-3-methanimidoylphenyl)-3-methylurea (PubChem CID 139442921) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-anilino-3-methanimidoylphenyl)-3-methylurea
PubChem CID139442921
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(4-anilino-3-methanimidoylphenyl)-3-methylurea
SMILES[H]/N=C/c1cc(NC(=O)NC)ccc1Nc1ccccc1
InChIInChI=1S/C15H16N4O/c1-17-15(20)19-13-7-8-14(11(9-13)10-16)18-12-5-3-2-4-6-12/h2-10,16,18H,1H3,(H2,17,19,20)/b16-10+
InChIKeyQLZSDKSAYHUWBQ-MHWRWJLKSA-N
XLogP3.18
TPSA77.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
S-[4-(4-fluoroanilino)-3-methanimidoylphenyl] benzenecarbothioate
CID 89268827
3-methanimidoyl-4-[3-(trifluoromethyl)anilino]benzoic acid
CID 91425564
1-methyl-3-phenylurea;propane
CID 142949663
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(4-benzylphenyl)-3-methylurea
CID 145326557
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
2-chloro-2-fluoro-N-[(1R,2S)-1-[4-(4-fluoroanilino)-3-methanimidoylphenoxy]-1-phenylpropan-2-yl]acetamide
CID 89268745
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(2,3-dihydrothiophen-5-yl)-3-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-2,2-dimethyl-3-phenylpropan-1-one
CID 89270239
(E)-3-[3-(methylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340518

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea?
The IUPAC name of 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea (CID 139442921) is 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea.
What is the SMILES notation for 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea?
The canonical SMILES for 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea is [H]/N=C/c1cc(NC(=O)NC)ccc1Nc1ccccc1.
What is the InChIKey of 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea?
The InChIKey is QLZSDKSAYHUWBQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N4O/c1-17-15(20)19-13-7-8-14(11(9-13)10-16)18-12-5-3-2-4-6-12/h2-10,16,18H,1H3,(H2,17,19,20)/b16-10+.
What are the key properties of 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea?
1-(4-anilino-3-methanimidoylphenyl)-3-methylurea has a molecular weight of 268.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-3-methanimidoylphenyl)-3-methylurea is sourced from PubChem (CID 139442921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).