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

C15H13ClN2O2 — CID 53439278

IUPACN-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide
SMILESO=CNc1ccc(Cc2ccc(N(Cl)C=O)cc2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-18(11-20)15-7-3-13(4-8-15)9-12-1-5-14(6-2-12)17-10-19/h1-8,10-11H,9H2,(H,17,19)
InChIKeyYBQCODFZGQQRGM-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.96
Rot. Bonds6

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

N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide (PubChem CID 53439278) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide
PubChem CID53439278
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide
SMILESO=CNc1ccc(Cc2ccc(N(Cl)C=O)cc2)cc1
InChIInChI=1S/C15H13ClN2O2/c16-18(11-20)15-7-3-13(4-8-15)9-12-1-5-14(6-2-12)17-10-19/h1-8,10-11H,9H2,(H,17,19)
InChIKeyYBQCODFZGQQRGM-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[formyl(methyl)amino]phenyl]formamide
CID 122630608
N-(4-formylphenyl)formamide
CID 15314216
N-[4-[(N-methylanilino)methyl]phenyl]formamide
CID 166899743
N-[4-(2,3-dioxopropyl)phenyl]formamide
CID 86346333
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
2-(4-formamidophenyl)ethaneperoxoic acid
CID 58762024
N-[4-(propoxymethyl)phenyl]formamide
CID 155742417
ethane;N-(4-methylphenyl)formamide
CID 142066401
N-(4-bromophenyl)formamide;methane
CID 163289567
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
4-fluoro-N,3-dimethylaniline;N-(4-propylphenyl)formamide
CID 143225134
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide?
The IUPAC name of N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide (CID 53439278) is N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide.
What is the SMILES notation for N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide?
The canonical SMILES for N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide is O=CNc1ccc(Cc2ccc(N(Cl)C=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide?
The InChIKey is YBQCODFZGQQRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-18(11-20)15-7-3-13(4-8-15)9-12-1-5-14(6-2-12)17-10-19/h1-8,10-11H,9H2,(H,17,19).
What are the key properties of N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide?
N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide has a molecular weight of 288.73 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[chloro(formyl)amino]phenyl]methyl]phenyl]formamide is sourced from PubChem (CID 53439278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).