N-(3H-azepin-4-ylmethyl)benzamide

C14H14N2O — CID 142217505

IUPACN-(3H-azepin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CC=CN=CC1)c1ccccc1
InChIInChI=1S/C14H14N2O/c17-14(13-6-2-1-3-7-13)16-11-12-5-4-9-15-10-8-12/h1-7,9-10H,8,11H2,(H,16,17)
InChIKeyYBQPUYZYMGKSLV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.33
Rot. Bonds3

About N-(3H-azepin-4-ylmethyl)benzamide

N-(3H-azepin-4-ylmethyl)benzamide (PubChem CID 142217505) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3H-azepin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3H-azepin-4-ylmethyl)benzamide
PubChem CID142217505
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(3H-azepin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CC=CN=CC1)c1ccccc1
InChIInChI=1S/C14H14N2O/c17-14(13-6-2-1-3-7-13)16-11-12-5-4-9-15-10-8-12/h1-7,9-10H,8,11H2,(H,16,17)
InChIKeyYBQPUYZYMGKSLV-UHFFFAOYSA-N
XLogP2.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-azepin-4-ylmethyl)benzamide?
The IUPAC name of N-(3H-azepin-4-ylmethyl)benzamide (CID 142217505) is N-(3H-azepin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3H-azepin-4-ylmethyl)benzamide?
The canonical SMILES for N-(3H-azepin-4-ylmethyl)benzamide is O=C(NCC1=CC=CN=CC1)c1ccccc1.
What is the InChIKey of N-(3H-azepin-4-ylmethyl)benzamide?
The InChIKey is YBQPUYZYMGKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(13-6-2-1-3-7-13)16-11-12-5-4-9-15-10-8-12/h1-7,9-10H,8,11H2,(H,16,17).
What are the key properties of N-(3H-azepin-4-ylmethyl)benzamide?
N-(3H-azepin-4-ylmethyl)benzamide has a molecular weight of 226.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-azepin-4-ylmethyl)benzamide is sourced from PubChem (CID 142217505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).