N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide

C15H14ClN3 — CID 154939185

IUPACN-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/c1ccccc1)N(C)Cl)c1ccccc1
InChIInChI=1S/C15H14ClN3/c1-19(16)15(13-10-6-3-7-11-13)18-14(17)12-8-4-2-5-9-12/h2-11,17H,1H3/b17-14+,18-15-
InChIKeyQCTPHZCFTPQCFT-YEUVTLMZSA-N
MW271.75 g/mol
LogP3.54
Rot. Bonds2

About N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide

N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide (PubChem CID 154939185) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
PubChem CID154939185
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC NameN-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(/c1ccccc1)N(C)Cl)c1ccccc1
InChIInChI=1S/C15H14ClN3/c1-19(16)15(13-10-6-3-7-11-13)18-14(17)12-8-4-2-5-9-12/h2-11,17H,1H3/b17-14+,18-15-
InChIKeyQCTPHZCFTPQCFT-YEUVTLMZSA-N
XLogP3.54
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 146664852
N-[[[(3R,4S)-4,5-dimethylhexan-3-yl]-methylamino]-phenylmethylidene]benzenecarboximidamide
CID 146786896
methyl N-(benzenecarboximidoyl)benzenecarboximidothioate
CID 10491182
N-[cyclohexa-1,5-dien-1-yl-[1-iodoethyl(methyl)amino]methylidene]benzenecarboximidamide
CID 126699904
N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 130393856
4-tert-butyl-N-[(4-tert-butylphenyl)-[methyl-[(Z)-2-methylpent-3-en-2-yl]amino]methylidene]benzenecarboximidamide
CID 130380914
N'-(3,5-diphenylbenzenecarboximidoyl)carbamimidoyl chloride
CID 156530281
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
CID 163838886
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
CID 137285198
N'-[N-(benzenecarboximidoyl)-N-methylcarbamimidoyl]benzenecarboximidamide
CID 123674972
N-[[methyl-[11-[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]indolo[2,3-a]carbazol-12-yl]amino]-phenylmethylidene]benzenecarboximidamide
CID 156706517

Frequently Asked Questions

What is the IUPAC name of N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The IUPAC name of N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide (CID 154939185) is N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide.
What is the SMILES notation for N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The canonical SMILES for N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide is [H]/N=C(/N=C(/c1ccccc1)N(C)Cl)c1ccccc1.
What is the InChIKey of N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
The InChIKey is QCTPHZCFTPQCFT-YEUVTLMZSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19(16)15(13-10-6-3-7-11-13)18-14(17)12-8-4-2-5-9-12/h2-11,17H,1H3/b17-14+,18-15-.
What are the key properties of N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide?
N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide has a molecular weight of 271.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide is sourced from PubChem (CID 154939185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).