4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide

C16H17ClN2O2 — CID 43712010

IUPAC4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10(2)21-15-8-7-13(9-14(15)17)19-16(20)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyNDEMOFJTJCEAIY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.96
Rot. Bonds4

About 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide

4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide (PubChem CID 43712010) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
PubChem CID43712010
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(N)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10(2)21-15-8-7-13(9-14(15)17)19-16(20)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyNDEMOFJTJCEAIY-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.96
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

N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 106551049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide (CID 43712010) is 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2ccc(N)cc2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide?
The InChIKey is NDEMOFJTJCEAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(2)21-15-8-7-13(9-14(15)17)19-16(20)11-3-5-12(18)6-4-11/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide?
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 43712010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).