4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide

C15H17BrN2O — CID 81260425

IUPAC4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrN2O/c1-17-15(19)3-2-8-18-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10,18H,2-3,8H2,1H3,(H,17,19)
InChIKeyWBTMFLJVXHRHOE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.54
Rot. Bonds5

About 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide

4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide (PubChem CID 81260425) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
PubChem CID81260425
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H17BrN2O/c1-17-15(19)3-2-8-18-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10,18H,2-3,8H2,1H3,(H,17,19)
InChIKeyWBTMFLJVXHRHOE-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-methylbut-3-enyl)naphthalen-2-amine
CID 114472442
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752
N-methyl-4-(2,4,6-tribromoanilino)butanamide
CID 63891830
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide?
The IUPAC name of 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide (CID 81260425) is 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide?
The canonical SMILES for 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide is CNC(=O)CCCNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide?
The InChIKey is WBTMFLJVXHRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-17-15(19)3-2-8-18-14-7-5-11-9-13(16)6-4-12(11)10-14/h4-7,9-10,18H,2-3,8H2,1H3,(H,17,19).
What are the key properties of 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide?
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide has a molecular weight of 321.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 81260425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).