N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide

C15H21BrN2O2 — CID 106133334

IUPACN-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
SMILESO=C(CNCC1CCC(O)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c16-12-2-1-3-13(8-12)18-15(20)10-17-9-11-4-6-14(19)7-5-11/h1-3,8,11,14,17,19H,4-7,9-10H2,(H,18,20)
InChIKeyKASPSFKRJPEOCY-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.53
Rot. Bonds5

About N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide

N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide (PubChem CID 106133334) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
PubChem CID106133334
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
SMILESO=C(CNCC1CCC(O)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c16-12-2-1-3-13(8-12)18-15(20)10-17-9-11-4-6-14(19)7-5-11/h1-3,8,11,14,17,19H,4-7,9-10H2,(H,18,20)
InChIKeyKASPSFKRJPEOCY-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
CID 63711846
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
N-(3-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418146
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
CID 60857365
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
N-(3-bromophenyl)-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81038558
2-(cyclopropylmethylamino)-N-[3-(difluoromethyl)phenyl]acetamide;hydrochloride
CID 119767750
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide (CID 106133334) is N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide is O=C(CNCC1CCC(O)CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide?
The InChIKey is KASPSFKRJPEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-12-2-1-3-13(8-12)18-15(20)10-17-9-11-4-6-14(19)7-5-11/h1-3,8,11,14,17,19H,4-7,9-10H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide?
N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide is sourced from PubChem (CID 106133334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).