4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide

C18H21ClN2O2 — CID 119399937

IUPAC4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-5-6-8-15(12)21-17(22)11-9-13(19)14(20)10-16(11)23-4/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyYFHPNKVHFSBWAE-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.48
Rot. Bonds3

About 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide

4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide (PubChem CID 119399937) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
PubChem CID119399937
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-5-6-8-15(12)21-17(22)11-9-13(19)14(20)10-16(11)23-4/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyYFHPNKVHFSBWAE-UHFFFAOYSA-N
XLogP4.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
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-methoxy-N-pyridin-2-ylbenzamide
CID 110465014
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 119787675
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
CID 119801463
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
CID 90104796
4-amino-5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;hydrochloride
CID 18687422
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide (CID 119399937) is 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide?
The InChIKey is YFHPNKVHFSBWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,3)12-7-5-6-8-15(12)21-17(22)11-9-13(19)14(20)10-16(11)23-4/h5-10H,20H2,1-4H3,(H,21,22).
What are the key properties of 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide?
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide has a molecular weight of 332.83 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 119399937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).