N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide

C9H9BrN2O2 — CID 171804973

IUPACN-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide
SMILESCO/N=C(\NC=O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c1-14-12-9(11-6-13)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12,13)
InChIKeyXFVHPQXAWCKLNU-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.50
Rot. Bonds3

About N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide

N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide (PubChem CID 171804973) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide.

Molecular Properties

Compound NameN-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide
PubChem CID171804973
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide
SMILESCO/N=C(\NC=O)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c1-14-12-9(11-6-13)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12,13)
InChIKeyXFVHPQXAWCKLNU-UHFFFAOYSA-N
XLogP1.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-bromophenyl)-4-methoxyiminobutanoate
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1-bromo-4-(1-methoxyprop-1-enyl)benzene
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methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
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1-(4-bromophenyl)ethanone;dimethyl carbonate
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4-bromobenzonitrile;4-bromo-N'-hydroxybenzenecarboximidamide;4-bromo-N'-methoxybenzenecarboximidamide
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1-(4-bromophenyl)-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684356
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
methyl N-[(4-bromobenzoyl)amino]carbamate
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(propan-2-ylideneamino) 4-bromobenzoate
CID 708182
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
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N-formyl-4-methoxybenzamide
CID 10856056

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide?
The IUPAC name of N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide (CID 171804973) is N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide.
What is the SMILES notation for N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide?
The canonical SMILES for N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide is CO/N=C(\NC=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide?
The InChIKey is XFVHPQXAWCKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-14-12-9(11-6-13)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12,13).
What are the key properties of N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide?
N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide has a molecular weight of 257.09 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-C-(4-bromophenyl)-N-methoxycarbonimidoyl]formamide is sourced from PubChem (CID 171804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).