4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide

C18H21ClN2O2 — CID 90104796

IUPAC4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)21(12-8-6-5-7-9-12)17(22)13-10-14(19)15(20)11-16(13)23-4/h5-11H,20H2,1-4H3
InChIKeyFJDHXOMMDBCILP-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.38
Rot. Bonds3

About 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide

4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide (PubChem CID 90104796) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
PubChem CID90104796
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)21(12-8-6-5-7-9-12)17(22)13-10-14(19)15(20)11-16(13)23-4/h5-11H,20H2,1-4H3
InChIKeyFJDHXOMMDBCILP-UHFFFAOYSA-N
XLogP4.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.38
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-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 119752988
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414207
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
(1-oxo-1-phenylpropan-2-yl) 4-amino-5-chloro-2-methoxybenzoate
CID 16578310
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide?
The IUPAC name of 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide (CID 90104796) is 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide.
What is the SMILES notation for 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide?
The canonical SMILES for 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide is COc1cc(N)c(Cl)cc1C(=O)N(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide?
The InChIKey is FJDHXOMMDBCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,3)21(12-8-6-5-7-9-12)17(22)13-10-14(19)15(20)11-16(13)23-4/h5-11H,20H2,1-4H3.
What are the key properties of 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide?
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide has a molecular weight of 332.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide is sourced from PubChem (CID 90104796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).