N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide

C13H14BrClF2N2O2 — CID 60866382

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C13H14BrClF2N2O2/c14-9-5-7(15)6-10(12(9)21-13(16)17)19-11(20)3-4-18-8-1-2-8/h5-6,8,13,18H,1-4H2,(H,19,20)
InChIKeyCORALQQWXXZCHR-UHFFFAOYSA-N
MW383.62 g/mol
LogP3.78
Rot. Bonds7

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide (PubChem CID 60866382) has the molecular formula C13H14BrClF2N2O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
PubChem CID60866382
Molecular FormulaC13H14BrClF2N2O2
Molecular Weight383.62 g/mol
Exact Mass381.99
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C13H14BrClF2N2O2/c14-9-5-7(15)6-10(12(9)21-13(16)17)19-11(20)3-4-18-8-1-2-8/h5-6,8,13,18H,1-4H2,(H,19,20)
InChIKeyCORALQQWXXZCHR-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
(3R)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81119285
3-(cyclopropylamino)-N-(2,4-dichlorophenyl)propanamide
CID 60722944
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cycloheptanamine
CID 43691044
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
CID 60847638
3-bromo-5-chloro-2-(difluoromethoxy)-N-(3-methylcyclopentyl)aniline
CID 64501696
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide (CID 60866382) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
The InChIKey is CORALQQWXXZCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClF2N2O2/c14-9-5-7(15)6-10(12(9)21-13(16)17)19-11(20)3-4-18-8-1-2-8/h5-6,8,13,18H,1-4H2,(H,19,20).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide has a molecular weight of 383.62 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 60866382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).