benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium

C22H22ClN2O2+ — CID 7999776

IUPACbenzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1
InChIKeyRLMQKDXUHVOHKL-UHFFFAOYSA-O
MW381.88 g/mol
LogP3.64
Rot. Bonds7

About benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium

benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 7999776) has the molecular formula C22H22ClN2O2+ and a molecular weight of 381.88 g/mol. Its IUPAC name is benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
PubChem CID7999776
Molecular FormulaC22H22ClN2O2+
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Namebenzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1
InChIKeyRLMQKDXUHVOHKL-UHFFFAOYSA-O
XLogP3.64
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392634
N-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922104
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium (CID 7999776) is benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium is COc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is RLMQKDXUHVOHKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26)/p+1.
What are the key properties of benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium?
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 381.88 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 7999776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).