2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide

C14H15ClN2O2 — CID 63085843

IUPAC2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9(7-11-3-2-6-19-11)17-10-4-5-12(14(16)18)13(15)8-10/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyCPOJFNKKTXNKSN-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.08
Rot. Bonds5

About 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide

2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide (PubChem CID 63085843) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
PubChem CID63085843
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
SMILESCC(Cc1ccco1)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H15ClN2O2/c1-9(7-11-3-2-6-19-11)17-10-4-5-12(14(16)18)13(15)8-10/h2-6,8-9,17H,7H2,1H3,(H2,16,18)
InChIKeyCPOJFNKKTXNKSN-UHFFFAOYSA-N
XLogP3.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
CID 63085829
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The IUPAC name of 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide (CID 63085843) is 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The canonical SMILES for 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide is CC(Cc1ccco1)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide?
The InChIKey is CPOJFNKKTXNKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(7-11-3-2-6-19-11)17-10-4-5-12(14(16)18)13(15)8-10/h2-6,8-9,17H,7H2,1H3,(H2,16,18).
What are the key properties of 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide?
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide has a molecular weight of 278.74 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide is sourced from PubChem (CID 63085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).