N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide

C17H19BrClNO — CID 81261991

IUPACN-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H19BrClNO/c18-14-2-1-13(19)6-15(14)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyCZDRHWMHXMPXEA-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.26
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide

N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide (PubChem CID 81261991) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
PubChem CID81261991
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H19BrClNO/c18-14-2-1-13(19)6-15(14)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)
InChIKeyCZDRHWMHXMPXEA-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2,5-dichlorophenyl)adamantane-1-carbohydrazide
CID 11955959
N-(3-bromo-4-fluorophenyl)adamantane-1-carboxamide
CID 104779359
N-[(2,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787498
(5S,7R)-3-chloro-N-(5-chloro-2-fluorophenyl)adamantane-1-carboxamide
CID 8759479
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
3-(adamantane-1-carbonylamino)-4-chlorobenzoic acid
CID 23888644
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-(3-amino-4-chlorophenyl)adamantane-1-carboxamide
CID 16772902

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide (CID 81261991) is N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide is O=C(Nc1cc(Cl)ccc1Br)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide?
The InChIKey is CZDRHWMHXMPXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c18-14-2-1-13(19)6-15(14)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21).
What are the key properties of N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide?
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide has a molecular weight of 368.70 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 81261991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).