N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide

C16H17BrN2O2 — CID 79753661

IUPACN-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyKPHLSQVMHOBUSJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.07
Rot. Bonds4

About N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide

N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide (PubChem CID 79753661) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
PubChem CID79753661
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyKPHLSQVMHOBUSJ-UHFFFAOYSA-N
XLogP4.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.07
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-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide (CID 79753661) is N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(Br)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide?
The InChIKey is KPHLSQVMHOBUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-14(17)15(18)9-12/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide?
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 79753661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).