N-chloro-N-(2-phenylethoxy)benzamide

C15H14ClNO2 — CID 13352725

IUPACN-chloro-N-(2-phenylethoxy)benzamide
SMILESO=C(c1ccccc1)N(Cl)OCCc1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-17(15(18)14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyTYBNPZFBODFIFZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.46
Rot. Bonds5

About N-chloro-N-(2-phenylethoxy)benzamide

N-chloro-N-(2-phenylethoxy)benzamide (PubChem CID 13352725) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-chloro-N-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-chloro-N-(2-phenylethoxy)benzamide
PubChem CID13352725
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-chloro-N-(2-phenylethoxy)benzamide
SMILESO=C(c1ccccc1)N(Cl)OCCc1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-17(15(18)14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyTYBNPZFBODFIFZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
hydroxy(2-phenylethyl)carbamic acid
CID 87254387
2-[(4-methoxybenzoyl)-(2-phenylethoxy)amino]acetic acid
CID 10359201
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
N-chloro-N-methoxy-3-phenylpropanamide
CID 10443211
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride
CID 142413498
2-phenylethyl acetate
CID 7654
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(2-phenylethoxy)benzamide?
The IUPAC name of N-chloro-N-(2-phenylethoxy)benzamide (CID 13352725) is N-chloro-N-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-chloro-N-(2-phenylethoxy)benzamide?
The canonical SMILES for N-chloro-N-(2-phenylethoxy)benzamide is O=C(c1ccccc1)N(Cl)OCCc1ccccc1.
What is the InChIKey of N-chloro-N-(2-phenylethoxy)benzamide?
The InChIKey is TYBNPZFBODFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-17(15(18)14-9-5-2-6-10-14)19-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of N-chloro-N-(2-phenylethoxy)benzamide?
N-chloro-N-(2-phenylethoxy)benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(2-phenylethoxy)benzamide is sourced from PubChem (CID 13352725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).