2-deuterio-4-methoxy-N-phenylbenzamide

C14H13NO2 — CID 141045741

IUPAC2-deuterio-4-methoxy-N-phenylbenzamide
SMILES[2H]c1cc(OC)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)/i7D
InChIKeyXOJAJRFBOKCXPI-WHRKIXHSSA-N
MW228.27 g/mol
LogP2.95
Rot. Bonds3

About 2-deuterio-4-methoxy-N-phenylbenzamide

2-deuterio-4-methoxy-N-phenylbenzamide (PubChem CID 141045741) has the molecular formula C14H13NO2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-deuterio-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-deuterio-4-methoxy-N-phenylbenzamide
PubChem CID141045741
Molecular FormulaC14H13NO2
Molecular Weight228.27 g/mol
Exact Mass228.10
IUPAC Name2-deuterio-4-methoxy-N-phenylbenzamide
SMILES[2H]c1cc(OC)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C14H13NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)/i7D
InChIKeyXOJAJRFBOKCXPI-WHRKIXHSSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-methoxy-N-phenylbenzamide?
The IUPAC name of 2-deuterio-4-methoxy-N-phenylbenzamide (CID 141045741) is 2-deuterio-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for 2-deuterio-4-methoxy-N-phenylbenzamide?
The canonical SMILES for 2-deuterio-4-methoxy-N-phenylbenzamide is [2H]c1cc(OC)ccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-deuterio-4-methoxy-N-phenylbenzamide?
The InChIKey is XOJAJRFBOKCXPI-WHRKIXHSSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)/i7D.
What are the key properties of 2-deuterio-4-methoxy-N-phenylbenzamide?
2-deuterio-4-methoxy-N-phenylbenzamide has a molecular weight of 228.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 141045741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).