4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

C15H15ClN2O2 — CID 100803624

IUPAC4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESC[C@H](O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-6-5-11(17)8-14(13)16/h2-9,19H,17H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyFLDKFQNHWCBLFP-VIFPVBQESA-N
MW290.75 g/mol
LogP3.23
Rot. Bonds3

About 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide

4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 100803624) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
PubChem CID100803624
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
SMILESC[C@H](O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-6-5-11(17)8-14(13)16/h2-9,19H,17H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyFLDKFQNHWCBLFP-VIFPVBQESA-N
XLogP3.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide (CID 100803624) is 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is C[C@H](O)c1cccc(NC(=O)c2ccc(N)cc2Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is FLDKFQNHWCBLFP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-6-5-11(17)8-14(13)16/h2-9,19H,17H2,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide?
4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 100803624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).