N-[3-[(phenacylamino)methyl]phenyl]formamide

C16H16N2O2 — CID 58789041

IUPACN-[3-[(phenacylamino)methyl]phenyl]formamide
SMILESO=CNc1cccc(CNCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c19-12-18-15-8-4-5-13(9-15)10-17-11-16(20)14-6-2-1-3-7-14/h1-9,12,17H,10-11H2,(H,18,19)
InChIKeyRFEBFUZLICAPOT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.23
Rot. Bonds7

About N-[3-[(phenacylamino)methyl]phenyl]formamide

N-[3-[(phenacylamino)methyl]phenyl]formamide (PubChem CID 58789041) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[3-[(phenacylamino)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[(phenacylamino)methyl]phenyl]formamide
PubChem CID58789041
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[3-[(phenacylamino)methyl]phenyl]formamide
SMILESO=CNc1cccc(CNCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2/c19-12-18-15-8-4-5-13(9-15)10-17-11-16(20)14-6-2-1-3-7-14/h1-9,12,17H,10-11H2,(H,18,19)
InChIKeyRFEBFUZLICAPOT-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(3-formamidophenyl)methyl]carbamate
CID 86609841
(2S)-2-anilino-3-[4-[3-[(phenacylamino)methyl]phenyl]phenyl]propanoic acid
CID 141088901
[5-[2-(benzylamino)acetyl]-2-hydroxyphenyl] formate
CID 155212785
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
2-(aminomethylamino)-1-phenylethanone
CID 59627873
N-[3-(cyclopropanecarbonyl)phenyl]formamide
CID 146310044
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
N-ethyl-3-[[(4-formamidobenzoyl)amino]methyl]benzamide
CID 71871569
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-(2-pyridin-4-ylethyl)phenyl]formamide
CID 168653232
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284

Frequently Asked Questions

What is the IUPAC name of N-[3-[(phenacylamino)methyl]phenyl]formamide?
The IUPAC name of N-[3-[(phenacylamino)methyl]phenyl]formamide (CID 58789041) is N-[3-[(phenacylamino)methyl]phenyl]formamide.
What is the SMILES notation for N-[3-[(phenacylamino)methyl]phenyl]formamide?
The canonical SMILES for N-[3-[(phenacylamino)methyl]phenyl]formamide is O=CNc1cccc(CNCC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(phenacylamino)methyl]phenyl]formamide?
The InChIKey is RFEBFUZLICAPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-18-15-8-4-5-13(9-15)10-17-11-16(20)14-6-2-1-3-7-14/h1-9,12,17H,10-11H2,(H,18,19).
What are the key properties of N-[3-[(phenacylamino)methyl]phenyl]formamide?
N-[3-[(phenacylamino)methyl]phenyl]formamide has a molecular weight of 268.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(phenacylamino)methyl]phenyl]formamide is sourced from PubChem (CID 58789041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).