(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone

C19H21ClN2O2 — CID 119790959

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2)CC1C
InChIInChI=1S/C19H21ClN2O2/c1-12-8-14(13-6-4-3-5-7-13)11-22(12)19(23)15-9-16(20)17(21)10-18(15)24-2/h3-7,9-10,12,14H,8,11,21H2,1-2H3
InChIKeyXQWXWIMUTGZQHV-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.95
Rot. Bonds3

About (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone

(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone (PubChem CID 119790959) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
PubChem CID119790959
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2)CC1C
InChIInChI=1S/C19H21ClN2O2/c1-12-8-14(13-6-4-3-5-7-13)11-22(12)19(23)15-9-16(20)17(21)10-18(15)24-2/h3-7,9-10,12,14H,8,11,21H2,1-2H3
InChIKeyXQWXWIMUTGZQHV-UHFFFAOYSA-N
XLogP3.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119797169
(4-amino-5-chloro-2-methoxyphenyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
CID 119747137
(4-amino-5-chloro-2-methoxyphenyl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98067118
(4-amino-5-chloro-2-methoxyphenyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119897004
(4-amino-5-chloro-2-methoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119669799
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
4-amino-5-chloro-2-methoxy-N-(2-phenylcyclopentyl)benzamide
CID 119783099
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone (CID 119790959) is (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone is COc1cc(N)c(Cl)cc1C(=O)N1CC(c2ccccc2)CC1C.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The InChIKey is XQWXWIMUTGZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-14(13-6-4-3-5-7-13)11-22(12)19(23)15-9-16(20)17(21)10-18(15)24-2/h3-7,9-10,12,14H,8,11,21H2,1-2H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone?
(4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone has a molecular weight of 344.84 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119790959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).