4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide

C19H23BrN2O2 — CID 130441265

IUPAC4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
SMILESCNCc1c(C(=O)NC2CCCC[C@@H]2O)cc(Br)c2ccccc12
InChIInChI=1S/C19H23BrN2O2/c1-21-11-15-12-6-2-3-7-13(12)16(20)10-14(15)19(24)22-17-8-4-5-9-18(17)23/h2-3,6-7,10,17-18,21,23H,4-5,8-9,11H2,1H3,(H,22,24)/t17?,18-/m0/s1
InChIKeyAMYIVJMMJZWXQZ-ZVAWYAOSSA-N
MW391.31 g/mol
LogP3.36
Rot. Bonds4

About 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide

4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide (PubChem CID 130441265) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
PubChem CID130441265
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
SMILESCNCc1c(C(=O)NC2CCCC[C@@H]2O)cc(Br)c2ccccc12
InChIInChI=1S/C19H23BrN2O2/c1-21-11-15-12-6-2-3-7-13(12)16(20)10-14(15)19(24)22-17-8-4-5-9-18(17)23/h2-3,6-7,10,17-18,21,23H,4-5,8-9,11H2,1H3,(H,22,24)/t17?,18-/m0/s1
InChIKeyAMYIVJMMJZWXQZ-ZVAWYAOSSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
CID 135309339
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide (CID 130441265) is 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide is CNCc1c(C(=O)NC2CCCC[C@@H]2O)cc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide?
The InChIKey is AMYIVJMMJZWXQZ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-21-11-15-12-6-2-3-7-13(12)16(20)10-14(15)19(24)22-17-8-4-5-9-18(17)23/h2-3,6-7,10,17-18,21,23H,4-5,8-9,11H2,1H3,(H,22,24)/t17?,18-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide?
4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 130441265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).