N-[4-[formyl(methyl)amino]phenyl]formamide

C9H10N2O2 — CID 122630608

IUPACN-[4-[formyl(methyl)amino]phenyl]formamide
SMILESCN(C=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H10N2O2/c1-11(7-13)9-4-2-8(3-5-9)10-6-12/h2-7H,1H3,(H,10,12)
InChIKeyRRCKBXNBRVMJOM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.85
Rot. Bonds4

About N-[4-[formyl(methyl)amino]phenyl]formamide

N-[4-[formyl(methyl)amino]phenyl]formamide (PubChem CID 122630608) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[4-[formyl(methyl)amino]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[formyl(methyl)amino]phenyl]formamide
PubChem CID122630608
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[4-[formyl(methyl)amino]phenyl]formamide
SMILESCN(C=O)c1ccc(NC=O)cc1
InChIInChI=1S/C9H10N2O2/c1-11(7-13)9-4-2-8(3-5-9)10-6-12/h2-7H,1H3,(H,10,12)
InChIKeyRRCKBXNBRVMJOM-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Formanilide
CID 7671
Fenuron
CID 7560
N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
4-Aminoacetanilide
CID 31230
N-Methylformanilide
CID 66737
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
CID 7736
Formamide, N-(2-methylphenyl)-
CID 7202

Frequently Asked Questions

What is the IUPAC name of N-[4-[formyl(methyl)amino]phenyl]formamide?
The IUPAC name of N-[4-[formyl(methyl)amino]phenyl]formamide (CID 122630608) is N-[4-[formyl(methyl)amino]phenyl]formamide.
What is the SMILES notation for N-[4-[formyl(methyl)amino]phenyl]formamide?
The canonical SMILES for N-[4-[formyl(methyl)amino]phenyl]formamide is CN(C=O)c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-[formyl(methyl)amino]phenyl]formamide?
The InChIKey is RRCKBXNBRVMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11(7-13)9-4-2-8(3-5-9)10-6-12/h2-7H,1H3,(H,10,12).
What are the key properties of N-[4-[formyl(methyl)amino]phenyl]formamide?
N-[4-[formyl(methyl)amino]phenyl]formamide has a molecular weight of 178.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[formyl(methyl)amino]phenyl]formamide is sourced from PubChem (CID 122630608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).