2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

C14H19BrN2O — CID 79722133

IUPAC2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H19BrN2O/c1-9(2)17(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8,16H2,1-2H3
InChIKeyIZUFPCGPJDSKQE-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79722133) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
PubChem CID79722133
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H19BrN2O/c1-9(2)17(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8,16H2,1-2H3
InChIKeyIZUFPCGPJDSKQE-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
ethyl 2-[(2-amino-4-bromobenzoyl)-propan-2-ylamino]acetate
CID 79723037
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
CID 62241299

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (CID 79722133) is 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is IZUFPCGPJDSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9(2)17(8-10-3-4-10)14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8,16H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79722133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).