2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide

C19H21ClFNO3 — CID 34240994

IUPAC2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc([C@H](C)NC(=O)c2c(F)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C19H21ClFNO3/c1-11(2)25-16-9-8-13(10-17(16)24-4)12(3)22-19(23)18-14(20)6-5-7-15(18)21/h5-12H,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyXEFNDQRAIKDRCI-LBPRGKRZSA-N
MW365.83 g/mol
LogP4.77
Rot. Bonds6

About 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide

2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 34240994) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID34240994
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1cc([C@H](C)NC(=O)c2c(F)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C19H21ClFNO3/c1-11(2)25-16-9-8-13(10-17(16)24-4)12(3)22-19(23)18-14(20)6-5-7-15(18)21/h5-12H,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyXEFNDQRAIKDRCI-LBPRGKRZSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55653646
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-6-fluorobenzamide
CID 45001704
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-nitrobenzamide
CID 55653730
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
CID 112821206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide (CID 34240994) is 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is COc1cc([C@H](C)NC(=O)c2c(F)cccc2Cl)ccc1OC(C)C.
What is the InChIKey of 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is XEFNDQRAIKDRCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-11(2)25-16-9-8-13(10-17(16)24-4)12(3)22-19(23)18-14(20)6-5-7-15(18)21/h5-12H,1-4H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide?
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 365.83 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 34240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).