N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide

C16H23BrN2O2 — CID 65122968

IUPACN-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESO=C(CNCC1(O)CCCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O2/c17-13-5-7-14(8-6-13)19-15(20)11-18-12-16(21)9-3-1-2-4-10-16/h5-8,18,21H,1-4,9-12H2,(H,19,20)
InChIKeyNVMMLCQEKUULJG-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.06
Rot. Bonds5

About N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide

N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide (PubChem CID 65122968) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
PubChem CID65122968
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
SMILESO=C(CNCC1(O)CCCCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O2/c17-13-5-7-14(8-6-13)19-15(20)11-18-12-16(21)9-3-1-2-4-10-16/h5-8,18,21H,1-4,9-12H2,(H,19,20)
InChIKeyNVMMLCQEKUULJG-UHFFFAOYSA-N
XLogP3.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120579
N-(4-bromophenyl)-2-[(1-ethylcyclobutyl)amino]acetamide
CID 113488714
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60909353
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide (CID 65122968) is N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide is O=C(CNCC1(O)CCCCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
The InChIKey is NVMMLCQEKUULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c17-13-5-7-14(8-6-13)19-15(20)11-18-12-16(21)9-3-1-2-4-10-16/h5-8,18,21H,1-4,9-12H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide?
N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide has a molecular weight of 355.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide is sourced from PubChem (CID 65122968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).